Chemistry &amp; Biochemicals

1-Bromodecane was used in the synthesis of ferrocene containing hexacatenar metallomesogen.

100, 500 g in glass bottle
2 kg in glass bottle

Quality Level	200,
assay	98%
refractive index	n20/D 1.456 (lit.)
bp	238 °C (lit.)
density	1.066 g/mL at 25 °C (lit.)
SMILES string	CCCCCCCCCCBr
InChI	1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
InChI key	MYMSJFSOOQERIO-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319
pcodes	P302 + P352 - P305 + P351 + P338
Personal Protective Equipment	Eyeshields,, Gloves,, multi-purpose combination respirator cartridge (US),
RIDADR	UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
WGK Germany	WGK 3
Flash Point F	201.2 °F - closed cup
Flash Point C	94 °C - closed cup

1-Bromododecane can be used for modifying the solubility and processability by alkylation. Some of the reported applications include:

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1-Bromododecane

Empirical Formula (Hill Notation):	C₁₂H₂₅Br
Linear Formula:	CH₃(CH₂)₁₁Br
CAS Number:	143-15-7
Molecular Weight:	249.23
Beilstein/REAXYS Number:	506159
EC Number:	205-587-9
MDL number:	MFCD00000225
PubChem Substance ID:	24891918

Improving the solubility of rigid polycyclic aromatic hydrocarbons used in organic electronics to ease the solution processability.
Inducing hydrophobicity ethoxylated urethanes and polyurethanes.
Increasing lipophilicity of molecules for biological applications.

100, 500 g in glass bottle
1 kg in glass bottle

Quality Level	200,
vapor density	8.6 (vs air)
assay	97%
refractive index	n20/D 1.458 (lit.)
bp	134-135 °C/6 mmHg (lit.)
mp	11-9 °C (lit.)
density	1.038 g/mL at 25 °C (lit.)
SMILES string	CCCCCCCCCCCCBr
InChI	1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChI key	PBLNBZIONSLZBU-UHFFFAOYSA-N

Personal Protective Equipment	Eyeshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	230.0 °F
Flash Point C	110 °C

1-Bromoeicosane was used in the preparation of CuBr/polymer nanocomposite.

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1-Bromoeicosane

Empirical Formula (Hill Notation):	C₂₀H₄₁Br
Linear Formula:	CH₃(CH₂)₁₉Br
CAS Number:	4276-49-7
Molecular Weight:	361.44
Beilstein/REAXYS Number:	1763647
EC Number:	224-277-4
MDL number:	MFCD00013542
PubChem Substance ID:	24859863
NACRES:	NA.22

Self-assembled monolayers of 1-bromoeicosane were evaluated at the vacuum-graphite and liquid-graphite interfaces using scanning tunneling microscopy.

Biochem/physiol Actions

vapor density	12.5 (vs air)
vapor pressure	<1 mmHg ( 20 °C)
assay	≥97%
mp	36-39 °C (lit.)
SMILES string	CCCCCCCCCCCCCCCCCCCCBr
InChI	1S/C20H41Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-20H2,1H3
InChI key	CZASMUMJSKOHFJ-UHFFFAOYSA-N

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	235.4 °F - closed cup
Flash Point C	113 °C - closed cup

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1-Bromoheptadecane

Empirical Formula (Hill Notation):	C₁₇H₃₅Br
Linear Formula:	CH₃(CH₂)₁₆Br
CAS Number:	3508-00-7
Molecular Weight:	319.36
Beilstein/REAXYS Number:	1702196
EC Number:	222-506-2
MDL number:	MFCD00017891
PubChem Substance ID:	57647617
NACRES:	NA.22

Quality Level	100,
assay	≥95.0% (GC)
bp	126-128 °C/0.1 mmHg (lit.)
SMILES string	CCCCCCCCCCCCCCCCCBr
InChI	1S/C17H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-17H2,1H3
InChI key	HHSDZLLPIXMEIU-UHFFFAOYSA-N

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

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1-Bromoheptane

Empirical Formula (Hill Notation):	C₇H₁₅Br
Linear Formula:	CH₃(CH₂)₆Br
CAS Number:	629-04-9
Molecular Weight:	179.10
Beilstein/REAXYS Number:	1697160
EC Number:	211-068-8
MDL number:	MFCD00000273
PubChem Substance ID:	24891819
NACRES:	NA.22

vapor density	6.18 (vs air)
Quality Level	200,
assay	99%
refractive index	n20/D 1.4499 (lit.)
bp	180 °C (lit.)
mp	58 °C (lit.)
density	1.14 g/mL at 25 °C (lit.)
SMILES string	CCCCCCCBr
InChI	1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChI key	LSXKDWGTSHCFPP-UHFFFAOYSA-N

pictograms	GHS02
signalword	Warning
hcodes	H226
Personal Protective Equipment	Eyeshields,, Gloves,, multi-purpose combination respirator cartridge (US),
RIDADR	UN 1993C 3 / PGIII
WGK Germany	WGK 3
Flash Point F	140.0 °F - closed cup
Flash Point C	60 °C - closed cup

1-Bromohexadecane has been used:

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1-Bromohexadecane

Empirical Formula (Hill Notation):	C₁₆H₃₃Br
Linear Formula:	CH₃(CH₂)₁₅Br
CAS Number:	112-82-3
Molecular Weight:	305.34
Beilstein/REAXYS Number:	773989
EC Number:	204-008-7
MDL number:	MFCD00000230
PubChem Substance ID:	24854042
NACRES:	NA.22

in the preparation of soluble carbon nano-onions by covalent functionalization with hexadecyl chains
as extraction solvent in determination of endocrine-disrupting phenols (EDPs) in water samples by ultrasound-assisted emulsification microextraction (MS-USAEME) method
in the preparation of [2-(methacryloyloxy)ethyl]dimethylhexadecylammonium bromide monomer, required for the synthesis of novel methacrylate based adsorbents
in the synthesis of surfactant, N-hexadecyl ethylenediamine triacetic acid (HED3A)

100 g in glass bottle

vapor density	10.6 (vs air)
Quality Level	200,
vapor pressure	<1 mmHg ( 20 °C)
assay	97%
refractive index	n20/D 1.461 (lit.)
bp	190 °C/11 mmHg (lit.)
mp	16-18 °C (lit.)
density	0.999 g/mL at 25 °C (lit.)
SMILES string	CCCCCCCCCCCCCCCCBr
InChI	1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
InChI key	HNTGIJLWHDPAFN-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H315
pcodes	P302 + P352
Personal Protective Equipment	Eyeshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	350.6 °F - closed cup
Flash Point C	177 °C - closed cup

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1-Bromohexane

Empirical Formula (Hill Notation):	C₆H₁₃Br
Linear Formula:	CH₃(CH₂)₅Br
CAS Number:	111-25-1
Molecular Weight:	165.07
Beilstein/REAXYS Number:	1731290
EC Number:	203-850-2
MDL number:	MFCD00000271
PubChem Substance ID:	24891825
NACRES:	NA.22

vapor density	5.7 (vs air)
Quality Level	200,
vapor pressure	<10 mmHg ( 20 °C)
assay	98%
refractive index	n20/D 1.448 (lit.)
bp	154-158 °C (lit.)
mp	85 °C (lit.)
density	1.176 g/mL at 25 °C (lit.)
SMILES string	CCCCCCBr
InChI	1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3
InChI key	MNDIARAMWBIKFW-UHFFFAOYSA-N

pictograms	GHS02,GHS07
signalword	Warning
hcodes	H226 - H315 - H319 - H335
pcodes	P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 1993C 3 / PGIII
WGK Germany	WGK 2
Flash Point F	134.6 °F - closed cup
Flash Point C	57 °C - closed cup

1-Bromonaphthalene is a bromoarene that can be used in:

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1-Bromonaphthalene

Empirical Formula (Hill Notation):	C₁₀H₇Br
CAS Number:	90-11-9
Molecular Weight:	207.07
Beilstein/REAXYS Number:	1906414
EC Number:	201-965-2
MDL number:	MFCD00003868
PubChem Substance ID:	24891985
NACRES:	NA.22

Palladium-catalyzed Suzuki–Miyaura coupling reaction with potassium aryltrifluoroborates without the use of phase-transfer catalysts or phosphine ligands.
The preparation of indeno annelated polycyclic aromatic hydrocarbons by reacting with o-bromobenzeneboronic acid and oligocyclic bromoarenes via Suzuki-Heck type coupling.
Ni catalyzed Kumada–Tamao–Corriu cross-coupling reaction with PhMgBr.
The preparation of arylnaphthalenes via palladium-catalyzed Suzuki-Miyaura cross-coupling reaction with aryl boronic acid.

5, 100, 500 g in glass bottle

Quality Level	200,
assay	97%
refractive index	n20/D 1.6570 (lit.)
bp	133-134 °C/10 mmHg (lit.)
mp	2-1 °C (lit.)
density	1.48 g/mL at 20 °C (lit.)
SMILES string	Brc1cccc2ccccc12
InChI	1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChI key	DLKQHBOKULLWDQ-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H302 - H319
pcodes	P301 + P312 + P330 - P305 + P351 + P338
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	230.0 °F - closed cup
Flash Point C	110 °C - closed cup

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1-Bromononane

Empirical Formula (Hill Notation):	C₉H₁₉Br
Linear Formula:	CH₃(CH₂)₈Br
CAS Number:	693-58-3
Molecular Weight:	207.15
Beilstein/REAXYS Number:	1733632
EC Number:	211-755-2
MDL number:	MFCD00000278
PubChem Substance ID:	24891994
NACRES:	NA.22

Quality Level	100,
assay	98%
refractive index	n20/D 1.454 (lit.)
bp	201 °C (lit.)
density	1.084 g/mL at 25 °C (lit.)
SMILES string	CCCCCCCCCBr
InChI	1S/C9H19Br/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
InChI key	AYMUQTNXKPEMLM-UHFFFAOYSA-N

pictograms	GHS09
signalword	Warning
hcodes	H400
pcodes	P273
Personal Protective Equipment	Eyeshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	NA 1993 / PGIII
WGK Germany	WGK 3
Flash Point F	194.0 °F - closed cup
Flash Point C	90 °C - closed cup

1-Bromooctadecane was used in the synthesis of shortened single-walled carbon nanotubes (s-SWCNTs).

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1-Bromooctadecane

Empirical Formula (Hill Notation):	C₁₈H₃₇Br
Linear Formula:	CH₃(CH₂)₁₇Br
CAS Number:	112-89-0
Molecular Weight:	333.39
Beilstein/REAXYS Number:	774145
EC Number:	204-013-4
MDL number:	MFCD00000231
PubChem Substance ID:	24851920
NACRES:	NA.22

100, 500 g in glass bottle

Quality Level	100,
assay	≥97.0%
bp	214-216 °C/12 mmHg (lit.)
mp	25-30 °C (lit.)
density	0.976 g/mL at 25 °C (lit.)
SMILES string	CCCCCCCCCCCCCCCCCCBr
InChI	1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
InChI key	WSULSMOGMLRGKU-UHFFFAOYSA-N

pictograms	GHS08
signalword	Danger
hcodes	H304
pcodes	P301 + P310 - P331 - P405 - P501
Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	230.0 °F - closed cup
Flash Point C	110 °C - closed cup

1-Bromooctane was used as an extraction solvent in the determination of volatile organic compounds in water samples. It was also used in the synthesis of quaternary ammonium chloride-modified poly(propylenimine) dendrimers.

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1-Bromooctane

Empirical Formula (Hill Notation):	C₈H₁₇Br
Linear Formula:	CH₃(CH₂)₇Br
CAS Number:	111-83-1
Molecular Weight:	193.12
Beilstein/REAXYS Number:	1733136
EC Number:	203-912-9
MDL number:	MFCD00000276
PubChem Substance ID:	24849270
NACRES:	NA.22

100, 500 g in glass bottle

Quality Level	200,
vapor density	6.7 (vs air)
vapor pressure	0.34 mmHg ( 25 °C)
assay	99%
refractive index	n20/D 1.452 (lit.)
bp	201 °C (lit.)
mp	55 °C
density	1.118 g/mL at 25 °C (lit.)
SMILES string	CCCCCCCCBr
InChI	1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChI key	VMKOFRJSULQZRM-UHFFFAOYSA-N

pictograms	GHS09
signalword	Warning
hcodes	H410
pcodes	P273 - P501
Personal Protective Equipment	Eyeshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
WGK Germany	WGK 2
Flash Point F	176.0 °F - closed cup
Flash Point C	80 °C - closed cup

Incorporation of 1-bromopentadecane into mixed monolayers of deuterated palmitic acid (dPA) and deuterated stearic acid (dSA) at the air-water interface has been investigated.

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1-Bromopentadecane

Empirical Formula (Hill Notation):	C₁₅H₃₁Br
Linear Formula:	CH₃(CH₂)₁₄Br
CAS Number:	629-72-1
Molecular Weight:	291.31
Beilstein/REAXYS Number:	1744553
EC Number:	211-104-2
MDL number:	MFCD00000229
PubChem Substance ID:	24854296
NACRES:	NA.22

1-Bromopentadecane has been used as regent in the synthesis of (S)-eicos-(4E)-en-1-yn-3-ol, a bioactive component of the marine sponge Cribrochalina vasculum.

10, 50 g in glass bottle

vapor density	10.1 (vs air)
Quality Level	100,
vapor pressure	<1 mmHg ( 20 °C)
assay	97%
refractive index	n20/D 1.461 (lit.)
bp	159-160 °C/5 mmHg (lit.)
mp	17-19 °C (lit.)
density	1.005 g/mL at 25 °C (lit.)
SMILES string	CCCCCCCCCCCCCCCBr
InChI	1S/C15H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3
InChI key	JKOTZBXSNOGCIF-UHFFFAOYSA-N

Personal Protective Equipment	Eyeshields,, Gloves,, multi-purpose combination respirator cartridge (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	230.0 °F - closed cup
Flash Point C	110 °C - closed cup

1-Bromopentane undergoes phase transfer catalysed alkylation reaction with 2′-hydroxy acetophenone using tetrabutyl ammonium bromide as catalyst.

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1-Bromopentane

Empirical Formula (Hill Notation):	C₅H₁₁Br
Linear Formula:	CH₃(CH₂)₄Br
CAS Number:	110-53-2
Molecular Weight:	151.04
Beilstein/REAXYS Number:	1730981
EC Number:	203-776-0
MDL number:	MFCD00000267
eCl@ss:	39060131
PubChem Substance ID:	24847347
NACRES:	NA.22

5 g in ampule
100, 500 g in glass bottle

vapor density	>1 (vs air)
Quality Level	100,
assay	98%
refractive index	n20/D 1.444 (lit.)
bp	130 °C (lit.)
mp	95 °C (lit.)
solubility	H₂O: insoluble, alcohol: soluble, diethyl ether: miscible
density	1.218 g/mL at 25 °C (lit.)
SMILES string	CCCCCBr
InChI	1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3
InChI key	YZWKKMVJZFACSU-UHFFFAOYSA-N

pictograms	GHS02,GHS07,GHS09
signalword	Warning
hcodes	H226 - H315 - H411
pcodes	P210 - P273 - P302 + P352
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 1993C 3 / PGIII
WGK Germany	WGK 2
Flash Point F	86.0 °F
Flash Point C	30 °C

1-Bromopinacolone is an -bromoketone-aldehyde. Coupling of 1-bromopinacolone with various aldehyde electrophiles catalyzed by SmI2 has been reported. It acts as reversible competitive inhibitor for acetylcholinesterase, during hydrolysis of acetylcholine.

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1-Bromopinacolone

Empirical Formula (Hill Notation):	C₆H₁₁BrO
Linear Formula:	(CH₃)₃CCOCH₂Br
CAS Number:	5469-26-1
Molecular Weight:	179.05
Beilstein/REAXYS Number:	506485
EC Number:	226-794-0
MDL number:	MFCD00000206
PubChem Substance ID:	24865895
NACRES:	NA.22

1-Bromopinacolone is the suitable reagent for the synthesis of a photolabile azido derivative of the kaurene oxidase inhibitor 1-(4- chlorophenyl)4,4-dimethyl-2-(1,2,4-triazol-1-yl) pentan-3-ol (paclobutrazol). It may be used as reagent in the synthesis of 2-t-butyl-6-benzoylimidazo[1,2-b]pyridazine.

5, 25 mL in glass bottle

Quality Level	200,
assay	97%
refractive index	n20/D 1.466 (lit.)
bp	188-194 °C (lit.)
mp	10 °C (lit.)
density	1.331 g/mL at 25 °C (lit.)
storage temp.	20°C
SMILES string	CC(C)(C)C(=O)CBr
InChI	1S/C6H11BrO/c1-6(2,3)5(8)4-7/h4H2,1-3H3
InChI key	SAIRZMWXVJEBMO-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319 - H335
pcodes	P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 3334
WGK Germany	WGK 3
Flash Point F	167.0 °F - closed cup
Flash Point C	75 °C - closed cup

1-Bromopropane is used as a component of various models of binary mixtures, prepared to study their properties such as viscosity and refractive index.
It can be used as an alkylating reagent:

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1-Bromopropane

Empirical Formula (Hill Notation):	C₃H₇Br
Linear Formula:	CH₃CH₂CH₂Br
CAS Number:	106-94-5
Molecular Weight:	122.99
Beilstein/REAXYS Number:	505936
EC Number:	203-445-0
MDL number:	MFCD00000254
PubChem Substance ID:	24892019
NACRES:	NA.22

For the functionalization of seleno-substituted imidazo[1,2-]pyridine derivatives.
For the synthesis of 1,4-dihydroxy-2-propoxy anthraquinone derivatives.

It can also be used as a reactant:

For the synthesis of Berberine-benzimidazole derivatives.
For the synthesis of alkyl aryl ketones via carbonylative Barbier-Negishi coupling with aryl iodides.

1 L in glass bottle
100, 500 mL in glass bottle
5 mL in ampule

vapor density	4.3 (vs air)
Quality Level	200,
vapor pressure	146 mmHg ( 20 °C)
assay	99%
autoignition temp.	914 °F
refractive index	n20/D 1.434 (lit.)
bp	71 °C (lit.)
mp	110 °C (lit.)
density	1.354 g/mL at 25 °C (lit.)
SMILES string	CCCBr
InChI	1S/C3H7Br/c1-2-3-4/h2-3H2,1H3
InChI key	CYNYIHKIEHGYOZ-UHFFFAOYSA-N

pictograms	GHS02,GHS07,GHS08
signalword	Danger
hcodes	H225 - H315 - H319 - H335 - H336 - H351 - H360FD - H373 - H412 - H420
pcodes	P210 - P273 - P303 + P361 + P353 - P305 + P351 + P338 - P308 + P313 - P502
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 2344 3 / PGII
WGK Germany	WGK 2
Flash Point F	71.6 °F - closed cup
Flash Point C	22 °C - closed cup

1-Bromopyrene, a polycyclic aromatic hydrocarbon (PAH), is a mono bromo substituted pyrene derivative. Its synthesis has been reported. Its gas phase UV-absorption spectra in the UV wavelength range at elevated temperature has been studied. Electron affinitiy (EA) of 1-bromopyrene has been investigated using electron attachment desorption chemical ionization mass spectrometry (DCI-MS) and triple quadrupole tandem mass spectrometry. It participates in the synthesis of novel ruthenium (II) bipyridine or terpyridine complexes bearing pyrene moiety. The reaction of 1-bromopyrene cation radical with water in acetonitrile has been analyzed using the electron transfer stopped-flow (ETSF) method.

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1-Bromopyrene 391573-1G

Empirical Formula (Hill Notation):	C₁₆H₉Br
CAS Number:	1714-29-0
Molecular Weight:	281.15
MDL number:	MFCD00015767
PubChem Substance ID:	24864389
NACRES:	NA.22

General description

1-Bromopyrene is suitable reagent used in the comparative study of effect of substituents of some pyrene derivatives in inducing phototoxicity, DNA damage and repair in human skin keratinocytes and light-induced lipid peroxidation in methanol. It is suitable reagent used in the study to investigate the UV photon-assisted thermal decomposition of PAHs at elevated temperature.
1-Bromopyrene may be used as a standard to compare its spectral properties with that of pyrene based fluorescence probe. It may be used to study the effects of the addition of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic hydrocarbons.
It may be used in the synthesis of the following:

2-methyl-4-pyren-1-yl-but-3-yn-2-ol
1-ethynylpyrene
silsesquioxane (SSQ) based hybrid
ruthenium nanoparticles functionalized with pyrene moiety
mono- and di-pyrenyl perfluoroalkanes
oligo(1-bromopyrene)(OBrP) films
dinitropyrene-derived DNA adduct

1 g in glass bottle

Quality Level	100,
assay	96%
mp	102-105 °C (lit.)
SMILES string	Brc1ccc2ccc3cccc4ccc1c2c34
InChI	1S/C16H9Br/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
InChI key	HYGLETVERPVXOS-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319 - H335
pcodes	P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

1-Bromotetradecane was used in the synthesis of:

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1-Bromotetradecane

Empirical Formula (Hill Notation):	C₁₄H₂₉Br
Linear Formula:	CH₃(CH₂)₁₃Br
CAS Number:	112-71-0
Molecular Weight:	277.28
Beilstein/REAXYS Number:	1742640
EC Number:	203-999-3
MDL number:	MFCD00000228
PubChem Substance ID:	24851686
NACRES:	NA.22

tetradecylferrocene
cationic and zwitterionic gemini surfactants
metallomesogenic polymers based on bis[1(N)-3,4-dialkyloxybenzylidene-4-dodecyloxyaniline]dichloropalladium(II) with octyl, decyl, dodecyl, tetradecyl and hexadecyl alkyl groups
9-tetradecylcarbazole

5, 500 mL in glass bottle

Quality Level	200,
assay	97%
refractive index	n20/D 1.460 (lit.)
bp	175-178 °C/20 mmHg (lit.)
mp	5-6 °C (lit.)
density	0.932 g/mL at 25 °C (lit.)
SMILES string	CCCCCCCCCCCCCCBr
InChI	1S/C14H29Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
InChI key	KOFZTCSTGIWCQG-UHFFFAOYSA-N

Personal Protective Equipment	Eyeshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	235.4 °F - closed cup
Flash Point C	113 °C - closed cup

1-Bromotridecane was used in the synthesis of:

Подробнее

1-Bromotridecane

Empirical Formula (Hill Notation):	C₁₃H₂₇Br
Linear Formula:	CH₃(CH₂)₁₂Br
CAS Number:	765-09-3
Molecular Weight:	263.26
Beilstein/REAXYS Number:	1739992
EC Number:	212-138-0
MDL number:	MFCD00000227
PubChem Substance ID:	24851548
NACRES:	NA.22

tetradecanoic acid enriched with 13C at carbons 1, 3, or 6
(Z)-7-henicosene
(Z)-(2R)-[N-carboethoxypyrrolidine]tetradec-1-ene
2,3,6,7,10,11,14,15-octaalkyloxytetrabenzo[a,d,g,jlcyclododecatetraenes (CTTV-n) containing n=4-15 methylenic units in the alkyloxy substituents

vapor density	9.2 (vs air)
Quality Level	200,
assay	98%
refractive index	n20/D 1.459 (lit.)
bp	148-150 °C/10 mmHg (lit.)
mp	4-7 °C (lit.)
density	1.03 g/mL at 25 °C (lit.)
SMILES string	CCCCCCCCCCCCCBr
InChI	1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3
InChI key	BFDNZQUBFCYTIC-UHFFFAOYSA-N

Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3

1-Bromoundecane (undecyl bromide) was used in the preparation of Grignard reagent by reacting with Mg in THF (tetrahydrofuran).

Подробнее

1-Bromoundecane

Empirical Formula (Hill Notation):	C₁₁H₂₃Br
Linear Formula:	CH₃(CH₂)₁₀Br
CAS Number:	693-67-4
Molecular Weight:	235.20
Beilstein/REAXYS Number:	1098390
EC Number:	211-757-3
MDL number:	MFCD00000223
PubChem Substance ID:	24854728
NACRES:	NA.22

vapor density	8.2 (vs air)
Quality Level	100,
assay	98%
refractive index	n20/D 1.457 (lit.)
bp	137-138 °C/18 mmHg (lit.)
mp	9 °C (lit.)
density	1.054 g/mL at 25 °C (lit.)
SMILES string	CCCCCCCCCCCBr
InChI	1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
InChI key	IKPSIIAXIDAQLG-UHFFFAOYSA-N

Personal Protective Equipment	Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	235.4 °F - closed cup
Flash Point C	113 °C - closed cup

1-Butanethiol is used as a model gaseous analyte for fast-responding membrane-free amperometric gas sensor.

Подробнее

1-Butanethiol

Empirical Formula (Hill Notation):	C₄H₁₀S
Linear Formula:	CH₃(CH₂)₃SH
CAS Number:	109-79-5
Molecular Weight:	90.19
Beilstein/REAXYS Number:	1730908
EC Number:	203-705-3
MDL number:	MFCD00004905
PubChem Substance ID:	24847120

1 L in Sure/Seal™
250 mL in Sure/Seal™

Quality Level	200,
vapor density	3.1 (vs air)
vapor pressure	83 mmHg ( 37.7 °C)
assay	99%
refractive index	n20/D 1.443 (lit.)
bp	98 °C (lit.)
mp	116 °C (lit.)
density	0.842 g/mL at 25 °C (lit.)
SMILES string	CCCCS
InChI	1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3
InChI key	WQAQPCDUOCURKW-UHFFFAOYSA-N

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H302 + H332 - H315 - H317 - H319 - H335
pcodes	P210 - P280 - P301 + P312 + P330 - P302 + P352 - P304 + P340 + P312 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 2347 3 / PGII
WGK Germany	WGK 3
Flash Point F	53.6 °F - closed cup
Flash Point C	12 °C - closed cup

Подробнее

1-Butyl-4-ethynylbenzene

Empirical Formula (Hill Notation):	C₁₂H₁₄
Linear Formula:	CH₃(CH₂)₃C₆H₄C≡CH
CAS Number:	79887-09-5
Molecular Weight:	158.24
MDL number:	MFCD00173885
PubChem Substance ID:	24874186
NACRES:	NA.22

Quality Level	100,
assay	95%
refractive index	n20/D 1.527 (lit.)
density	0.906 g/mL at 25 °C (lit.)
SMILES string	CCCCc1ccc(cc1)C#C
InChI	1S/C12H14/c1-3-5-6-12-9-7-11(4-2)8-10-12/h2,7-10H,3,5-6H2,1H3
InChI key	ZVWWYEHVIRMJIE-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319 - H335
pcodes	P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	213.8 °F - closed cup
Flash Point C	101 °C - closed cup

1-Chloro-1-cyclopentene undergoes cross-coupling reaction with arylboronic acids, arylzinc reagents and thiols catalyzed by air-stable palladium complexes to yield the corresponding styrene derivatives, biaryls, and thioethers. Palladium-catalyzed aminocarbonylations of 1-chloro-1-cyclopentene and benzyl amine has been studied.

Подробнее

1-Chloro-1-cyclopentene

Empirical Formula (Hill Notation):	C₅H₇Cl
CAS Number:	930-29-0
Molecular Weight:	102.56
MDL number:	MFCD00010247
PubChem Substance ID:	24856710
NACRES:	NA.22

assay	97%
refractive index	n20/D 1.4651 (lit.)
bp	113-115 °C (lit.)
density	1.035 g/mL at 25 °C (lit.)
storage temp.	2-8°C
SMILES string	ClC1=CCCC1
InChI	1S/C5H7Cl/c6-5-3-1-2-4-5/h3H,1-2,4H2
InChI key	UJUIJZWQFDQKHO-UHFFFAOYSA-N

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H315 - H319 - H335
pcodes	P210 - P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 1993BF 3 / PGII
WGK Germany	WGK 3
Flash Point F	48.2 °F - closed cup
Flash Point C	9 °C - closed cup

1-Chloro-2,2-dimethylpropane was used as a substrate to perform the quantum mechanics calculations on LinB (a 33-kDa haloalkane dehalogenase from Sphingomonas paucimobilis UT26) to study which active site conformations and protonation states were eligible to result in catalysis.

Подробнее

1-Chloro-2,2-dimethylpropane

Empirical Formula (Hill Notation):	C₅H₁₁Cl
Linear Formula:	(CH₃)₃CCH₂Cl
CAS Number:	753-89-9
Molecular Weight:	106.59
EC Number:	212-040-8
MDL number:	MFCD00000941
PubChem Substance ID:	24856587
NACRES:	NA.22

Quality Level	100,
assay	99%
refractive index	n20/D 1.4039 (lit.)
bp	84-85 °C (lit.)
mp	20 °C (lit.)
density	0.866 g/mL at 25 °C (lit.)
SMILES string	CC(C)(C)CCl
InChI	1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3
InChI key	JEKYMVBQWWZVHO-UHFFFAOYSA-N

pictograms	GHS02,GHS07,GHS08
signalword	Danger
hcodes	H225 - H302 - H317 - H334
pcodes	P210 - P280 - P301 + P312 + P330 - P302 + P352
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 1993BF 3 / PGII
WGK Germany	WGK 2
Flash Point F	15.8 °F - closed cup
Flash Point C	-9 °C - closed cup

1-Chloro-2,4-dinitrobenzene on incubation with erythrocyte undergoes conjugation with erythrocyte glutathione (GSH) to form 2,4-dinitrophenyl-S-glutathione. It is an irreversible inhibitor of human thioredoxin reductase.

Подробнее

1-Chloro-2,4-dinitrobenzene

Empirical Formula (Hill Notation):	C₆H₃ClN₂O₄
Linear Formula:	ClC₆H₃(NO₂)₂
CAS Number:	97-00-7
Molecular Weight:	202.55
Beilstein/REAXYS Number:	613161
EC Number:	202-551-4
MDL number:	MFCD00007075
PubChem Substance ID:	24854237
NACRES:	NA.22

1-Chloro-2,4-dinitrobenzene has been used as alkylating agent to evaluate the depletion of intracellular erythrocyte glutathione (GSH).

10, 50 g in glass bottle

Quality Level	200,
assay	≥99%
expl. lim.	22 %
bp	315 °C (lit.)
mp	48-50 °C (lit.)
solubility	alcohol: very slightly soluble (cold)(lit.), benzene: soluble(lit.), carbon disulfide: soluble(lit.), diethyl ether: soluble(lit.), water: insoluble (practically)(lit.)
SMILES string	[O-][N+](=O)c1ccc(Cl)c(c1)[N+]([O-])=O
InChI	1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
InChI key	VYZAHLCBVHPDDF-UHFFFAOYSA-N

pictograms	GHS05,GHS06,GHS08,GHS09
signalword	Danger
hcodes	H301 + H331 - H310 - H315 - H317 - H318 - H373 - H410
pcodes	P262 - P273 - P280 - P301 + P310 - P302 + P352 + P310 - P305 + P351 + P338
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type P2 (EN 143) respirator cartridges,
RIDADR	UN 3441 6.1 / PGII
WGK Germany	WGK 2
Flash Point F	381.2 °F - closed cup
Flash Point C	194 °C - closed cup

1-Chloro-2-ethynylbenzene is a chlorinated benzene derivative.

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CDS011744-100MG

1-chloro-2-(ethylsulfonyl)ethane CDS011744-100MG

Empirical Formula (Hill Notation): C₄H₉ClO₂S

CAS Number: 25027-40-1

Molecular Weight: 156.63

MDL number: MFCD01752806

PubChem Substance ID: 329787124

Other Notes
Please note that Sigma-Aldrich provides this product to early discovery researchers as part of a collection of unique chemicals. Sigma-Aldrich does not collect analytical data for this product. Buyer assumes responsibility to confirm product identity and/or purity. All sales are final.

NOTWITHSTANDING ANY CONTRARY PROVISION CONTAINED IN SIGMA-ALDRICHS STANDARD TERMS AND CONDITIONS OF SALE OR AN AGREEMENT BETWEEN SIGMA-ALDRICH AND BUYER, SIGMA-ALDRICH SELLS THIS PRODUCT "AS-IS" AND MAKES NO REPRESENTATION OR WARRANTY WHATSOEVER WITH RESPECT TO THIS PRODUCT, INCLUDING ANY (A) WARRANTY OF MERCHANTABILITY; (B) WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE; OR (C) WARRANTY AGAINST INFRINGEMENT OF INTELLECTUAL PROPERTY RIGHTS OF A THIRD PARTY; WHETHER ARISING BY LAW, COURSE OF DEALING, COURSE OF PERFORMANCE, USAGE OF TRADE OR OTHERWISE.
Параметры

SMILES string CCS(=O)(=O)CCCl

InChI 1S/C4H9ClO2S/c1-2-8(6,7)4-3-5/h2-4H2,1H3

InChI key SSZGZNMFUXOAFG-UHFFFAOYSA-N

Safety Information

pictograms GHS07

signalword Warning

hcodes H319

pcodes P305 + P351 + P338

RIDADR NONH for all modes of transport

WGK Germany WGK 3

Flash Point F 267.3 °F

Flash Point C 130.7 °C

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1-Chloro-2-ethynylbenzene

Empirical Formula (Hill Notation):	C₈H₅Cl
Linear Formula:	ClC₆H₄C≡CH
CAS Number:	873-31-4
Molecular Weight:	136.58
MDL number:	MFCD00269951
PubChem Substance ID:	24870265
NACRES:	NA.22

1-Chloro-2-ethynylbenzene may be used in the synthesis of 4-(2-chlorophenylethynyl)-3-methyl-5-phenylisoxazole.

1, 5 g in glass bottle

Quality Level	100,
assay	98%
refractive index	n20/D 1.5710 (lit.)
bp	82 °C/12 mmHg (lit.)
density	1.125 g/mL at 25 °C (lit.)
storage temp.	2-8°C
SMILES string	Clc1ccccc1C#C
InChI	1S/C8H5Cl/c1-2-7-5-3-4-6-8(7)9/h1,3-6H
InChI key	DGLHLIWXYSGYBI-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319 - H335
pcodes	P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Gloves,, type ABEK (EN14387) respirator filter,
WGK Germany	WGK 3
Flash Point F	158.0 °F - closed cup
Flash Point C	70 °C - closed cup

Reaction of 1-chloro-2-methyl-2-propanol on oxygen-containing Ag(110) surfaces has been investigated by synchrotron-based temperature-programmed X-ray photoelectron spectroscopy.

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1-Chloro-2-methyl-2-propanol

Empirical Formula (Hill Notation):	C₄H₉ClO
Linear Formula:	(CH₃)₂C(OH)CH₂Cl
CAS Number:	558-42-9
Molecular Weight:	108.57
Beilstein/REAXYS Number:	1697054
EC Number:	209-196-4
MDL number:	MFCD00021807
PubChem Substance ID:	24850217
NACRES:	NA.22

1-Chloro-2-methyl-2-propanol was used in the synthesis and characterization of new polyfunctional thiols.

50 mL in glass bottle

Quality Level	100,
assay	97%
refractive index	n20/D 1.439 (lit.)
bp	124-128 °C (lit.)
density	1.058 g/mL at 25 °C (lit.)
SMILES string	CC(C)(O)CCl
InChI	1S/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3
InChI key	JNOZGFXJZQXOSU-UHFFFAOYSA-N

pictograms	GHS02
signalword	Warning
hcodes	H226
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 1987C 3 / PGIII
WGK Germany	WGK 3
Flash Point F	100.4 °F - closed cup
Flash Point C	38 °C - closed cup

1-Chloro-2-methylbutane is a halogenated organic building block. It can be synthesized by employing 2-methylbutanol as starting reagent. Grignard reagent derived from (+)-1-chloro-2-methylbutane may be employed for the preparation of partially optically active (-)-alkylphenylcarbinols and partially optically active secondary carbinols. Infrared and Raman spectra of its optically active form (+)(S)-1-chloro-2-methylbutane in various phases (liquid, glass and crystal) have been evaluated.

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1-Chloro-2-methylbutane

Empirical Formula (Hill Notation):	C₅H₁₁Cl
Linear Formula:	C₂H₅CH(CH₃)CH₂Cl
CAS Number:	616-13-7
Molecular Weight:	106.59
EC Number:	210-466-9
MDL number:	MFCD00039366
PubChem Substance ID:	24870895
NACRES:	NA.22

50 mL in glass bottle

Quality Level	100,
assay	96%
refractive index	n20/D 1.412 (lit.)
bp	100 °C/750 mmHg (lit.)
density	0.886 g/mL at 25 °C (lit.)
SMILES string	CCC(C)CCl
InChI	1S/C5H11Cl/c1-3-5(2)4-6/h5H,3-4H2,1-2H3
Inchi Key	IWAKWOFEHSYKSI-UHFFFAOYSA-N

pictograms	GHS02
signalword	Danger
hcodes	H225
pcodes	P210
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN1107 - class 3 - PG 2 - Amyl chlorides
WGK Germany	WGK 3
Flash Point F	32.0 °F - closed cup
Flash Point C	0 °C - closed cup

The gas-solid virial co-effiicent of 1-chloro-2-methylpropane was determined. The infrared and Raman spectra of 1-chloro-2-methylpropane was studied.

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1-Chloro-2-methylpropane

Empirical Formula (Hill Notation):	C₄H₉Cl
Linear Formula:	(CH₃)₂CHCH₂Cl
CAS Number:	513-36-0
Molecular Weight:	92.57
Beilstein/REAXYS Number:	635650
EC Number:	208-157-9
MDL number:	MFCD00000954
PubChem Substance ID:	24850708
NACRES:	NA.22

100, 500 mL in glass bottle

Quality Level	100,
assay	98%
refractive index	n20/D 1.398 (lit.)
bp	68-69 °C (lit.)
mp	131 °C (lit.)
solubility	H₂O: insoluble, alcohol: miscible, diethyl ether: miscible
density	0.883 g/mL at 25 °C (lit.)
storage temp.	2-8°C
SMILES string	CC(C)CCl
InChI	1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3
InChI key	QTBFPMKWQKYFLR-UHFFFAOYSA-N

pictograms	GHS02
signalword	Danger
hcodes	H225
pcodes	P210
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN1127 - class 3 - PG 2 - Chlorobutanes
WGK Germany	WGK 3
Flash Point F	-2.9 °F - closed cup
Flash Point C	-19.39 °C - closed cup

1-Chloro-2-methylpropene undergoes hydroboration to form an adduct, which on oxidation forms isobutyraldehyde.

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1-Chloro-2-methylpropene

Empirical Formula (Hill Notation):	C₄H₇Cl
Linear Formula:	(CH₃)₂C=CHCl
CAS Number:	513-37-1
Molecular Weight:	90.55
Beilstein/REAXYS Number:	1733843
EC Number:	208-158-4
MDL number:	MFCD00000924
PubChem Substance ID:	24847560
NACRES:	NA.22

1-Chloro-2-methylpropene was used to study multiple infrared photon excitation of α-chloro olefins.

assay	98%
refractive index	n20/D 1.424 (lit.)
bp	68 °C (lit.)
density	0.92 g/mL at 25 °C (lit.)
SMILES string	C\C(C)=C\Cl
InChI	1S/C4H7Cl/c1-4(2)3-5/h3H,1-2H3
InChI key	KWISWUFGPUHDRY-UHFFFAOYSA-N

pictograms	GHS02,GHS06,GHS08
signalword	Danger
hcodes	H225 - H311 - H315 - H319 - H330 - H335 - H350
pcodes	P201 - P210 - P280 - P302 + P352 + P312 - P304 + P340 + P310 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 1993BF 3 / PGII
WGK Germany	WGK 3
Flash Point F	30.2 °F - closed cup
Flash Point C	-1 °C - closed cup

Подробнее

1-Chloro-2-methylpropyl chloroformate

Empirical Formula (Hill Notation):	C₅H₈Cl₂O₂
Linear Formula:	ClCO₂CH(Cl)CH(CH₃)₂
CAS Number:	92600-11-8
Molecular Weight:	171.02
MDL number:	MFCD00012387
PubChem Substance ID:	24859038
NACRES:	NA.22

Quality Level	100,
assay	98%
refractive index	n20/D 1.432 (lit.)
density	1.173 g/mL at 25 °C (lit.)
storage temp.	2-8°C
SMILES string	CC(C)C(Cl)OC(Cl)=O
InChI	1S/C5H8Cl2O2/c1-3(2)4(6)9-5(7)8/h3-4H,1-2H3
InChI key	BOGLZTPABVHWDD-UHFFFAOYSA-N

pictograms	GHS02,GHS05,GHS06
signalword	Danger
hcodes	H226 - H301 + H311 + H331 - H314
pcodes	P210 - P280 - P301 + P310 + P330 - P301 + P330 + P331 - P303 + P361 + P353 - P305 + P351 + P338
Personal Protective Equipment	Faceshields,, Gloves,, Goggles,, type ABEK (EN14387) respirator filter,
RIDADR	UN 2742 6.1(3)(8) / PGII
WGK Germany	WGK 3
Flash Point F	127.4 °F - closed cup
Flash Point C	53 °C - closed cup

1-Chloro-2-nitrobenzene was reduced to o-chloroaniline by using 5% platinum on carbon with ammonium formale or forinic acid as hydrogen donor. Reaction of 1-chloro-2-nitrobenzene with dinitrogen pentoxide in dichloromethane is strongly catalysed by H-Faujasite-720(zeolite).

Подробнее

1-Chloro-2-nitrobenzene

Empirical Formula (Hill Notation):	C₆H₄ClNO₂
Linear Formula:	ClC₆H₄NO₂
CAS Number:	88-73-3
Molecular Weight:	157.55
Beilstein/REAXYS Number:	509273
EC Number:	201-854-9
MDL number:	MFCD00007061
PubChem Substance ID:	24851178
NACRES:	NA.22

1-Chloro-2-nitrobenzene was used in the synthesis of 1-hydroxybenzotriazole derivatives.

250 g in glass bottle
1 kg in glass bottle

vapor density	5.4 (vs air)
Quality Level	200,
vapor pressure	0.04 mmHg ( 25 °C)
assay	99%
autoignition temp.	500 °F
expl. lim.	8.7 %
bp	246 °C (lit.)
mp	31-33 °C (lit.)
solubility	alcohol: soluble, benzene: soluble, diethyl ether: soluble, water: insoluble
density	1.348 g/mL at 25 °C (lit.)
SMILES string	[O-][N+](=O)c1ccccc1Cl
InChI	1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
InChI key	BFCFYVKQTRLZHA-UHFFFAOYSA-N

pictograms	GHS06
signalword	Danger
hcodes	H301 + H311
pcodes	P264 - P270 - P280 - P301 + P310 - P302 + P352 + P312 - P361 + P364
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Faceshields,, Gloves,, type P2 (EN 143) respirator cartridges,
RIDADR	UN 1578 6.1 / PGII
WGK Germany	WGK 3
Flash Point F	258.8 °F - closed cup
Flash Point C	126 °C - closed cup

1-Chloro-2-octyne is a propargyl halide. Organo-titanium reagent mediated coupling of 1-chloro-2-octyne has been described.

Подробнее

1-Chloro-2-octyne

Empirical Formula (Hill Notation):	C₈H₁₃Cl
Linear Formula:	CH₃(CH₂)₄C≡CCH₂Cl
CAS Number:	51575-83-8
Molecular Weight:	144.64
MDL number:	MFCD00274223
PubChem Substance ID:	24868027
NACRES:	NA.22

1-Chloro-2-octyne may be used for the synthesis of 1,5-diynes, via reaction with 1,3-dilithiopropyne.

10 g in glass bottle

Quality Level	100,
assay	98%
refractive index	n20/D 1.46 (lit.)
bp	40-41 °C/0.5 mmHg (lit.)
density	0.931 g/mL at 25 °C (lit.)
SMILES string	CCCCCC#CCCl
InChI	1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h2-5,8H2,1H3
InChI key	OUMUOQQKEAGFCJ-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319 - H335
pcodes	P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	154.4 °F - closed cup
Flash Point C	68 °C - closed cup

1-Chloro-2-propanol is formed as an intermediate during the degradation of meso-bis-(1-chloro-2-propyl)ether by Rhodococcus sp. strain DTB.

Подробнее

1-Chloro-2-propanol

Empirical Formula (Hill Notation):	C₃H₇ClO
Linear Formula:	CH₃CH(OH)CH₂Cl+CH₃CHClCH₂OH
CAS Number:	127-00-4
Molecular Weight:	94.54
Beilstein/REAXYS Number:	773653
EC Number:	204-819-6
MDL number:	MFCD00004530
PubChem Substance ID:	24857557
NACRES:	NA.22

1-Chloro-2-propanol has been used as:

chemical intermediate for the manufacture of propylene oxide, a starting material for production of polyurethane polyols and propylene glycol
as ,-halohydrin standard during the enzymatic synthesis of ,-halohydrins from gaseous alkenes

Quality Level	200,
assay	70%
impurities	<25% 2-chloro-1-propanol
refractive index	n20/D 1.439 (lit.)
bp	126-127 °C (lit.)
density	1.111 g/mL at 25 °C (lit.)
SMILES string	CC(O)CCl
InChI	1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3
InChI key	YYTSGNJTASLUOY-UHFFFAOYSA-N

pictograms	GHS02,GHS06
signalword	Danger
hcodes	H226 - H301 + H331 - H315 - H319 - H335
pcodes	P210 - P301 + P310 + P330 - P302 + P352 - P304 + P340 + P311 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 2611 3(6.1) / PGII
WGK Germany	WGK 3
Flash Point F	125.6 °F - closed cup
Flash Point C	52 °C - closed cup

1-Chloro-3,5-dibromobenzene was used in the preparation of aryl bromide by the process of deprotonation.

Подробнее

1-Chloro-3,5-dibromobenzene

Empirical Formula (Hill Notation):	C₆H₃Br₂Cl
Linear Formula:	Br₂C₆H₃Cl
CAS Number:	14862-52-3
Molecular Weight:	270.35
MDL number:	MFCD00070765
PubChem Substance ID:	24847886
NACRES:	NA.22

5 g in glass bottle

Quality Level	100,
assay	95%
mp	91-94 °C (lit.)
SMILES string	Clc1cc(Br)cc(Br)c1
InChI	1S/C6H3Br2Cl/c7-4-1-5(8)3-6(9)2-4/h1-3H
Inchi Key	FNKCOUREFBNNHG-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319 - H335
pcodes	P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

1-Chloro-3-iodopropane undergoes asymmetric -alkylation with N-sulfinyl imidates to yield 2-substituted N-tert-butanesulfinyl-5-chloropentanimidates. Electroreduction of 1-chloro-3-iodopropane at glassy carbon electrode in dimethylformamide containing tetra-n-butylammonium perchlorate has been investigated by cyclic voltammetry. It also participates in conjugate addition of alkyl iodides to ,-unsaturated nitriles in water.

Подробнее

1-Chloro-3-iodopropane

Empirical Formula (Hill Notation):	C₃H₆ClI
Linear Formula:	Cl(CH₂)₃I
CAS Number:	6940-76-7
Molecular Weight:	204.44
Beilstein/REAXYS Number:	1731115
EC Number:	230-088-8
MDL number:	MFCD00001096
PubChem Substance ID:	24854043
NACRES:	NA.22

1-Chloro-3-iodopropane has been used in the synthesis of:

N-[4-[5-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-2-(2,2,2-trifluoroacetyl)pentyl]benzoyl]-L-glutamic acid, an inhibitor of glycinamide ribonucleotide transformylase (GAR Tfase) and aminoimidazole carboxamide ribonucleotide transformylase (AICAR Tfase)
interesting proton sponge type molecule quino[7,8-h]quinoline

25, 100 g in glass bottle

vapor density	6.8 (vs air)
Quality Level	100,
vapor pressure	2 mmHg ( 20 °C)
assay	99%
contains	copper as stabilizer
refractive index	n20/D 1.548 (lit.)
bp	170-172 °C (lit.)
density	1.904 g/mL at 25 °C (lit.)
SMILES string	ClCCCI
InChI	1S/C3H6ClI/c4-2-1-3-5/h1-3H2
InChI key	SFOYQZYQTQDRIY-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319 - H335
pcodes	P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	230.0 °F - closed cup
Flash Point C	110 °C - closed cup

Kinetics of gas-phase reactions of ozone with 1-chloro-3-methyl-2-butene was studied. Reaction of 1-chloro-3-methyl-2-butene with potassium iodide in acetone and sodium ethoxide in ethanol was studied.

Подробнее

1-Chloro-3-methyl-2-butene

Empirical Formula (Hill Notation):	C₅H₉Cl
Linear Formula:	(CH₃)₂C=CHCH₂Cl
CAS Number:	503-60-6
Molecular Weight:	104.58
EC Number:	207-972-7
MDL number:	MFCD00000982
PubChem Substance ID:	24858112
NACRES:	NA.22

1-Chloro-3-methyl-2-butene was used in total synthesis of geraniol.

Quality Level	100,
assay	95%
refractive index	n20/D 1.4488 (lit.)
bp	58-59 °C/120 mmHg (lit.)
density	0.928 g/mL at 25 °C (lit.)
storage temp.	2-8°C
SMILES string	C\C(C)=C\CCl
InChI	1S/C5H9Cl/c1-5(2)3-4-6/h3H,4H2,1-2H3
InChI key	JKXQKGNGJVZKFA-UHFFFAOYSA-N

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H315 - H319 - H335
pcodes	P210 - P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 1993BF 3 / PGII
WGK Germany	WGK 3
Flash Point F	55.4 °F - closed cup
Flash Point C	13 °C - closed cup

1-Chloro-3-nitrobenzene was used in the preparation of aromatic azo compounds using gold (Au) nanoparticles supported on TiO2 as a catalyst. It was also used as surrogate standard to evaluate the removal of 2,4-dinitrotoluene from contaminated soils using enhanced electrokinetic remediation.

Подробнее

1-Chloro-3-nitrobenzene

Empirical Formula (Hill Notation):	C₆H₄ClNO₂
Linear Formula:	ClC₆H₄NO₂
CAS Number:	121-73-3
Molecular Weight:	157.55
Beilstein/REAXYS Number:	1907947
EC Number:	204-496-1
MDL number:	MFCD00007202
PubChem Substance ID:	24853084
NACRES:	NA.22

250 g in glass bottle

Quality Level	100,
assay	98%
autoignition temp.	500 °F
bp	236 °C (lit.)
mp	43-47 °C (lit.)
solubility	alcohol: freely soluble (hot)(lit.), alcohol: very slightly soluble(lit.), carbon disulfide: freely soluble(lit.), chloroform: freely soluble(lit.), diethyl ether: freely soluble(lit.), glacial acetic acid: freely soluble(lit.), water: insoluble(lit.)
density	1.534 g/mL at 25 °C (lit.)
SMILES string	[O-][N+](=O)c1cccc(Cl)c1
InChI	1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
InChI key	KMAQZIILEGKYQZ-UHFFFAOYSA-N

pictograms	GHS06
signalword	Danger
hcodes	H302 - H311 - H412
pcodes	P264 - P270 - P273 - P280 - P301 + P312 - P302 + P352 + P312
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Faceshields,, Gloves,
RIDADR	UN 1578 6.1 / PGII
WGK Germany	WGK 3
Flash Point F	255.2 °F
Flash Point C	124 °C

Подробнее

1-Chloro-3-pentanone

Empirical Formula (Hill Notation):	C₅H₉ClO
Linear Formula:	CH₃CH₂COCH₂CH₂Cl
CAS Number:	32830-97-0
Molecular Weight:	120.58
Beilstein/REAXYS Number:	1699401
EC Number:	251-247-8
MDL number:	MFCD00000993
PubChem Substance ID:	24892847
NACRES:	NA.22

grade	technical grade
Quality Level	200,
assay	85%
refractive index	n20/D 1.435 (lit.)
bp	68 °C/20 mmHg (lit.)
density	1.042 g/mL at 25 °C (lit.)
storage temp.	2-8°C
SMILES string	CCC(=O)CCCl
InChI	1S/C5H9ClO/c1-2-5(7)3-4-6/h2-4H2,1H3
InChI key	APNSUHRNUVUCIP-UHFFFAOYSA-N

pictograms	GHS02
signalword	Warning
hcodes	H226
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN1224 - class 3 - PG 3 - Ketones, liquid, n.o.s., HI: all
WGK Germany	WGK 3
Flash Point F	123.8 °F - closed cup
Flash Point C	51 °C - closed cup

Подробнее

1-Chloro-3-phenylpropane

Empirical Formula (Hill Notation):	C₉H₁₁Cl
Linear Formula:	C₆H₅(CH₂)₃Cl
CAS Number:	104-52-9
Molecular Weight:	154.64
Beilstein/REAXYS Number:	507635
EC Number:	203-210-2
MDL number:	MFCD00001001
PubChem Substance ID:	24892899
NACRES:	NA.22

Quality Level	100,
assay	99%
refractive index	n20/D 1.521 (lit.)
bp	219 °C (lit.)
density	1.08 g/mL at 25 °C (lit.)
SMILES string	ClCCCc1ccccc1
InChI	1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChI key	XZBXAYCCBFTQHH-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H315
Personal Protective Equipment	Eyeshields,, Gloves,, type ABEK (EN14387) respirator filter,
WGK Germany	WGK 2
Flash Point F	188.6 °F - closed cup
Flash Point C	87 °C - closed cup

Подробнее

1-Chloro-4-(1,2-dibromoethyl)benzene 674982-10G

Empirical Formula (Hill Notation):	C₈H₇Br₂Cl
CAS Number:	23135-16-2
Molecular Weight:	298.40
MDL number:	MFCD00634325
PubChem Substance ID:	24885248
NACRES:	NA.22

Quality Level	100,
assay	97%
mp	45-49 °C
SMILES string	Clc1ccc(cc1)C(Br)CBr
InChI	1S/C8H7Br2Cl/c9-5-8(10)6-1-3-7(11)4-2-6/h1-4,8H,5H2
InChI key	LBLPNCDPGCZTRP-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319 - H335
pcodes	P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	UN 3077 9 / PGIII
WGK Germany	WGK 3
Flash Point F	230.0 °F
Flash Point C	> 110 °C

1-Chloro-4-(phenylethynyl)benzene is an internal alkyne that can be prepared by palladium-catalyzed Kumada cross-coupling reaction.

Подробнее

1-Chloro-4-(phenylethynyl)benzene

Empirical Formula (Hill Notation):	C₁₄H₉Cl
Linear Formula:	ClC₆H₄C≡CC₆H₅
CAS Number:	5172-02-1
Molecular Weight:	212.67
MDL number:	MFCD00957930
PubChem Substance ID:	24873531
NACRES:	NA.22

1-Chloro-4-(phenylethynyl)benzene may be used in the preparation of 1-(4-chlorophenyl)-4-methyl-2-phenylnaphthalene and 2-(4-chlorophenyl)-4-methyl-1-phenylnaphthalene as a 1:1 mixture.

1 g in glass bottle

Quality Level	100,
assay	98%
mp	81-83 °C (lit.)
SMILES string	Clc1ccc(cc1)C#Cc2ccccc2
InChI	1S/C14H9Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H
InChI key	YMZAAGCDWVIPNL-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319 - H335
pcodes	P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

Подробнее

1-Chloro-4-ethylbenzene

Empirical Formula (Hill Notation):	C₈H₉Cl
CAS Number:	622-98-0
Molecular Weight:	140.61
EC Number:	210-763-3
MDL number:	MFCD00040855
PubChem Substance ID:	329760871
NACRES:	NA.22

assay	97%
refractive index	n20/D 1.518
density	1.045 g/mL at 25 °C
SMILES string	CCc1ccc(Cl)cc1
InChI	1S/C8H9Cl/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
Inchi Key	GPOFSFLJOIAMSA-UHFFFAOYSA-N

pictograms	GHS02,GHS07,GHS09
signalword	Warning
hcodes	H226 - H302 - H411
pcodes	P210 - P273 - P301 + P312 + P330
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 1993C 3 / PGIII
WGK Germany	WGK 3
Flash Point F	140.0 °F - closed cup
Flash Point C	60 °C - closed cup

1-Chloro-4-ethynylbenzene undergoes standard Sonogashira reaction with iodophenyl groups on the film surfaces via the formation of C−C bonds.

Подробнее

1-Chloro-4-ethynylbenzene

Empirical Formula (Hill Notation):	C₈H₅Cl
Linear Formula:	ClC₆H₄C≡CH
CAS Number:	873-73-4
Molecular Weight:	136.58
MDL number:	MFCD00191917
PubChem Substance ID:	24852401
NACRES:	NA.22

1 g in glass bottle

assay	98%
mp	45-47 °C (lit.)
SMILES string	Clc1ccc(cc1)C#C
InChI	1S/C8H5Cl/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
InChI key	LFZJRTMTKGYJRS-UHFFFAOYSA-N

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H228 - H315 - H319 - H335
pcodes	P210 - P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	UN1325 - class 4.1 - PG 2 - Flammable solids, organic, n.o.s., HI: all
WGK Germany	WGK 3
Flash Point F	50.0 °F - closed cup
Flash Point C	10 °C - closed cup

Подробнее

1-Chloro-4-iodobenzene

Empirical Formula (Hill Notation):	C₆H₄ClI
Linear Formula:	ClC₆H₄I
CAS Number:	637-87-6
Molecular Weight:	238.45
Beilstein/REAXYS Number:	1634414
EC Number:	211-305-5
MDL number:	MFCD00001053
PubChem Substance ID:	24846546
NACRES:	NA.22

Quality Level	200,
assay	99%
bp	226-227 °C (lit.)
mp	53-54 °C (lit.)
SMILES string	Clc1ccc(I)cc1
InChI	1S/C6H4ClI/c7-5-1-3-6(8)4-2-5/h1-4H
InChI key	GWQSENYKCGJTRI-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H302 + H312 + H332
pcodes	P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

1-Chloro-4-iodobutane is a halogenated hydrocarbon. It is an ,-dihaloalkane and undergoes electrogenerated Nickel(I) salen (N,N-bis(salicylidene)ethylenediamine) catalyzed reduction to afford 1,8-dichlorooctane. Electrochemical reduction of 1-chloro-4-iodobutane at glassy carbon cathode has been investigated by cyclic voltammetry and controlled-potential electrolysis.

Подробнее

1-Chloro-4-iodobutane

Empirical Formula (Hill Notation):	C₄H₈ClI
Linear Formula:	I(CH₂)₄Cl
CAS Number:	10297-05-9
Molecular Weight:	218.46
EC Number:	233-669-4
MDL number:	MFCD00039415
PubChem Substance ID:	24864660
NACRES:	NA.22

1-Chloro-4-iodobutane may be used in the following studies:

Preparation of 6-hendecenoic acid.
Catalytic asymmetric synthesis of levobupivacaine.
Synthesis of alkaloids such as deoxyvasicinone, mackinazolinone.

5, 25 mL in glass bottle

Quality Level	100,
assay	98%
contains	copper as stabilizer
refractive index	n20/D 1.54 (lit.)
bp	88-89 °C/19 mmHg (lit.)
density	1.785 g/mL at 25 °C (lit.)
SMILES string	ClCCCCI
InChI	1S/C4H8ClI/c5-3-1-2-4-6/h1-4H2
InChI key	JXOSPTBRSOYXGC-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319 - H335
pcodes	P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point F	199.4 °F - closed cup
Flash Point C	93 °C - closed cup

Подробнее

1-Chloro-4-nitrobenzene

Empirical Formula (Hill Notation):	C₆H₄ClNO₂
Linear Formula:	ClC₆H₄NO₂
CAS Number:	100-00-5
Molecular Weight:	157.55
Beilstein/REAXYS Number:	508691
EC Number:	202-809-6
MDL number:	MFCD00007285
PubChem Substance ID:	24892820
NACRES:	NA.22

vapor density	5.4 (vs air)
Quality Level	100,
vapor pressure	0.09 mmHg ( 25 °C)
assay	99%
autoignition temp.	500 °F
bp	242 °C (lit.)
mp	80-83 °C (lit.)
density	1.298 g/mL at 25 °C (lit.)
SMILES string	[O-][N+](=O)c1ccc(Cl)cc1
InChI	1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
InChI key	CZGCEKJOLUNIFY-UHFFFAOYSA-N

pictograms	GHS06,GHS08,GHS09
signalword	Danger
hcodes	H301 + H311 + H331 - H341 - H351 - H373 - H411
pcodes	P201 - P273 - P280 - P301 + P310 + P330 - P302 + P352 + P312 - P304 + P340 + P311
RIDADR	UN 1578 6.1 / PGII
WGK Germany	WGK 3
Flash Point F	255.2 °F - closed cup
Flash Point C	124 °C - closed cup

1-Chloro-4-phenylbutane can be synthesized by reacting 4-phenylbutan-1-ol with POCl3 and pyridine.

Подробнее

1-Chloro-4-phenylbutane

Empirical Formula (Hill Notation):	C₁₀H₁₃Cl
Linear Formula:	C₆H₅(CH₂)₄Cl
CAS Number:	4830-93-7
Molecular Weight:	168.66
EC Number:	225-408-8
MDL number:	MFCD00037117
PubChem Substance ID:	24869908
NACRES:	NA.22

1-Chloro-4-phenylbutane may be used for the synthesis of 4-(2,4-dinitrophenyl)butan-1-amine. It was used in the synthesis of 1-phenylbutyl-4-phenylpiperidine-4-carbonitrile oxalate.
It may be used in the preparation of tetralin via cyclialkylation with aluminum chloride and ferric chloride.

5 g in glass bottle

Quality Level	100,
assay	97%
refractive index	n20/D 1.518 (lit.)
bp	98-102 °C/6 mmHg (lit.)
density	1.026 g/mL at 25 °C (lit.)
SMILES string	ClCCCCc1ccccc1
InChI	1S/C10H13Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChI key	FLLZCZIHURYEQP-UHFFFAOYSA-N