Building Blocks

1, 5, 100 g in poly bottle

vapor density	5.32 (vs air)
Quality Level	100,
vapor pressure	10 mmHg ( 131 °C)
assay	99%
bp	279 °C (lit.)
mp	90-94 °C (lit.)
solubility	chloroform: soluble 5%, clear, colorless to faintly yellow
SMILES string	C1Cc2cccc3cccc1c23
InChI	1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
InChI key	CWRYPZZKDGJXCA-UHFFFAOYSA-N

pictograms	GHS09
signalword	Warning
hcodes	H410
pcodes	P273 - P391 - P501
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	UN 3077 9 / PGIII
WGK Germany	WGK 3
Flash Point F	257.0 °F - closed cup
Flash Point C	125.0 °C - closed cup

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Acenaphthylene 416703-100MG

Empirical Formula (Hill Notation):	C₁₂H₈
CAS Number:	208-96-8
Molecular Weight:	152.19
Beilstein/REAXYS Number:	774092
EC Number:	205-917-1
MDL number:	MFCD00003806
PubChem Substance ID:	24865923
NACRES:	NA.22

Acenaphthylene has been used to investigate the photodimerization of acenaphthylene in micellar and hydrogel media.

100 mg in amber glass bottle

Quality Level	100,
assay	99%
bp	280 °C (lit.)
mp	78-82 °C (lit.)
density	0.899 g/mL at 25 °C (lit.)
SMILES string	c1cc2C=Cc3cccc(c1)c23
InChI	1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
InChI key	HXGDTGSAIMULJN-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H302 - H315 - H319 - H335
pcodes	P261 - P264 - P270 - P301 + P312 - P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
WGK Germany	WGK 3
Flash Point F	251.6 °F - closed cup
Flash Point C	122.0 °C - closed cup

Acetaldehyde is an industrially important solvent used as an intermediate for the synthesis of a wide range of compounds. On oxidation it forms acetic acid and ethanol on reduction. The interaction of Criegee intermediate (CH2OO) with acetaldehyde has been measured. Its effect as a neuroactive agent has been studied. Alkynylation reaction of acetaldehyde by asymmetric catalysis has been reported.

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Acetaldehyde

Empirical Formula (Hill Notation):	C₂H₄O
Linear Formula:	CH₃CHO
CAS Number:	75-07-0
Molecular Weight:	44.05
Beilstein/REAXYS Number:	505984
EC Number:	200-836-8
MDL number:	MFCD00006991
eCl@ss:	39021102
PubChem Substance ID:	24865119
NACRES:	NA.21

Acetaldehyde may be used in the synthesis of 1,3-diamines by one-pot cross double-Mannich reaction and β-amino aldehydes by proline-catalyzed Mannich reaction.

5 mL in ampule
100 mL in aluminum bottle
1 L in aluminum bottle

Quality Level	200
biological source	synthetic
grade	ACS reagent
vapor density	1.52 (vs air)
vapor pressure	14.63 psi ( 20 °C)
assay	99.5%
autoignition temp.	365 °F
expl. lim.	60 %
impurities	0.008 meq/g Titr. acid
evapn. residue	0.005%
refractive index	n20/D 1.332 (lit.)
bp	21 °C (lit.)
mp	125 °C (lit.)
solubility	alcohols: soluble, water: miscible
density	0.785 g/mL at 25 °C (lit.)
storage temp.	2-8°C
SMILES string	CC=O
InChI	1S/C2H4O/c1-2-3/h2H,1H3
InChI key	IKHGUXGNUITLKF-UHFFFAOYSA-N

Pictograms	GHS02,GHS07,GHS08
Signal Word	Danger
Hazard Statements	H224 - H319 - H335 - H341 - H350
Precautionary Statements	P202 - P210 - P233 - P305 + P351 + P338 - P308 + P313 - P403 + P233
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields, Faceshields, Gloves
RIDADR	UN1089 - class 3 - PG 1 - Acetaldehyde
WGK Germany	WGK 3
Flash Point(F)	-38.0 °F - closed cup
Flash Point(C)	-38.89 °C - closed cup

Acetaldehyde diethyl acetal can react with diketene to form ethyl 5-ethoxy-3-oxohexanoate in the presence of titanium chloride. It can also be used to synthesize mixed acetal glycosides via transacetalation.

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Acetaldehyde diethyl acetal

Empirical Formula (Hill Notation):	C₆H₁₄O₂
Linear Formula:	CH₃CH(OC₂H₅)₂
CAS Number:	105-57-7
Molecular Weight:	118.17
Beilstein/REAXYS Number:	1098310
EC Number:	203-310-6
MDL number:	MFCD00009243
PubChem Substance ID:	24891397

5, 100, 500 mL in glass bottle

vapor density	4.1 (vs air)
Quality Level	200,
vapor pressure	20 mmHg ( 20 °C), 8 mmHg ( 8 °C)
assay	99%
autoignition temp.	446 °F
expl. lim.	10.4 %
refractive index	n20/D 1.379-1.383 (lit.)
bp	102 °C (lit.)
density	0.831 g/mL at 25 °C (lit.)
SMILES string	CCOC(C)OCC
InChI	1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
InChI key	DHKHKXVYLBGOIT-UHFFFAOYSA-N

pictograms	GHS02,GHS05
signalword	Danger
hcodes	H225 - H314
pcodes	P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN1088 - class 3 - PG 2 - Acetal
WGK Germany	WGK 2
Flash Point F	68.0 °F - closed cup
Flash Point C	< 20 °C - closed cup

Kinetics of oxidative degradation of acetaldehyde dimethyl acetal has been studied by pulse radiolysis. It also undergoes addition with various ketones, esters, amides and thioesters in the presence of silyl trifluoromethanesulfonates and an amine base. Lewis acid-mediated reaction of the titanium enolate of (S)-N-acetyl-4-isopropyl-1,3-thiazolidine-2-thione with acetaldehyde dimethyl acetal has been studied.

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Acetaldehyde dimethyl acetal

Empirical Formula (Hill Notation):	C₄H₁₀O₂
Linear Formula:	CH₃CH(OCH₃)₂
CAS Number:	534-15-6
Molecular Weight:	90.12
Beilstein/REAXYS Number:	1697039
EC Number:	208-589-8
MDL number:	MFCD00008493
eCl@ss:	39021102
PubChem Substance ID:	24864023
NACRES:	NA.22

Acetaldehyde dimethyl acetal may be used in the preparation of glucoside derivatives of steganol. It may be used as polymer solvent for the encapsulation of water-soluble model protein, bovine serum albumin into biodegradable poly(D,L-lactic acid.

25, 100 mL in glass bottle

Quality Level	100,
vapor density	3.1 (vs air)
assay	95%
refractive index	n20/D 1.367 (lit.)
bp	64 °C (lit.)
density	0.852 g/mL at 25 °C (lit.)
SMILES string	COC(C)OC
InChI	1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3
InChI key	SPEUIVXLLWOEMJ-UHFFFAOYSA-N

pictograms	GHS02
signalword	Danger
hcodes	H225
pcodes	P210 - P233 - P240 - P241 - P242 - P243
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,
RIDADR	UN 2377 3 / PGII
WGK Germany	WGK 2
Flash Point F	1.4 °F - closed cup
Flash Point C	-17 °C - closed cup

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Acetaldehyde oxime, mixture of syn and anti

Empirical Formula (Hill Notation):	C₂H₅NO
Linear Formula:	CH₃CH=NOH
CAS Number:	107-29-9
Molecular Weight:	59.07
Beilstein/REAXYS Number:	1209252
EC Number:	203-479-6
MDL number:	MFCD00002124
PubChem Substance ID:	24890491
NACRES:	NA.22

Quality Level	200,
assay	99%
refractive index	n20/D 1.426 (lit.)
bp	115 °C (lit.)
density	0.969 g/mL at 25 °C (lit.)
storage temp.	2-8°C
SMILES string	C\C=N\O
InChI	1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+
InChI key	FZENGILVLUJGJX-NSCUHMNNSA-N

pictograms	GHS02,GHS07
signalword	Warning
hcodes	H226 - H302 + H332 - H319
pcodes	P210 - P301 + P312 + P330 - P304 + P340 + P312 - P305 + P351 + P338
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 2332 3 / PGIII
WGK Germany	WGK 1
Flash Point F	104.0 °F - open cup
Flash Point C	40 °C - open cup

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Acetaldehyde solution 719099-50ML

Empirical Formula (Hill Notation):	C₂H₄O
Linear Formula:	CH₃CHO
CAS Number:	75-07-0
Molecular Weight:	44.05
MDL number:	MFCD00006991
eCl@ss:	39021102
PubChem Substance ID:	329763627
NACRES:	NA.22

form	liquid
Quality Level	100,
concentration	5 M in THF
refractive index	n20/D 1.389
density	0.868 g/mL at 20 °C, 0.843 g/mL at 25 °C
storage temp.	2-8°C
SMILES string	[H]C(C)=O
InChI	1S/C2H4O/c1-2-3/h2H,1H3
InChI key	IKHGUXGNUITLKF-UHFFFAOYSA-N

pictograms	GHS02,GHS07,GHS08
signalword	Danger
hcodes	H225 - H319 - H335 - H336 - H341 - H350
pcodes	P202 - P210 - P233 - P240 - P305 + P351 + P338 - P308 + P313
Supp Hazards	EUH019
RIDADR	UN 1993C 3 / PGIII
WGK Germany	WGK 3
Flash Point F	-25.1 °F - closed cup
Flash Point C	-31.7 °C - closed cup

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Acetamide

Empirical Formula (Hill Notation):	C₂H₅NO
Linear Formula:	CH₃CONH₂
CAS Number:	60-35-5
Molecular Weight:	59.07
Beilstein/REAXYS Number:	1071207
EC Number:	200-473-5
MDL number:	MFCD00008023
PubChem Substance ID:	329761718
NACRES:	NA.22

Quality Level	100,
vapor pressure	1 mmHg ( 65 °C)
assay	99%
form	sublimed
bp	221 °C (lit.)
mp	78-80 °C (lit.)
SMILES string	CC(N)=O
InChI	1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
InChI key	DLFVBJFMPXGRIB-UHFFFAOYSA-N

pictograms	GHS08
signalword	Warning
hcodes	H351
pcodes	P281
Personal Protective Equipment	Eyeshields,, Gloves,, type P1 (EN143) respirator filter,, type P3 (EN 143) respirator cartridges,
WGK Germany	WGK 1
Flash Point F	Not applicable
Flash Point C	Not applicable

Acetamidine hydrochloride is an amidine salt and its conversion to 2,4,6-trimethyl-sym-triazine has been studied.

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Acetamidine hydrochloride

Empirical Formula (Hill Notation):	C₂H₆N₂ · HCl
Linear Formula:	CH₃C(=NH)NH₂ · HCl
CAS Number:	124-42-5
Molecular Weight:	94.54
Beilstein/REAXYS Number:	3591762
EC Number:	204-700-9
MDL number:	MFCD00013016
PubChem Substance ID:	24849795
NACRES:	NA.22

Acetamidine hydrochloride was used in the preparation of decarboxyectoine. It was also used in the synthesis of ethyl 4-(4-hydroxyphenyl)methylidene-2-methyl-5-oxo-1-imidazolacetate.

100, 500 g in poly bottle

Quality Level	100,
assay	95%
mp	165-170 °C (lit.)
SMILES string	Cl[H].CC(N)=N
InChI	1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H
InChI key	WCQOBLXWLRDEQA-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H315 - H319
pcodes	P302 + P352 - P305 + P351 + P338
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

Acetanilide undergoes palladium-catalyzed cross-coupling reaction to form ortho-acylacetanilide.

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Acetanilide

Empirical Formula (Hill Notation):	C₈H₉NO
Linear Formula:	CH₃CONHC₆H₅
CAS Number:	103-84-4
Molecular Weight:	135.16
Beilstein/REAXYS Number:	606468
EC Number:	203-150-7
MDL number:	MFCD00008674
eCl@ss:	39031308
PubChem Substance ID:	57646910
NACRES:	NA.22

Acetanilide is used as a EOF (electroosmotic flow) marker in the studies of affinity capillary electrophoresis for drug–protein binding.

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

vapor density	4.65 (vs air)
Quality Level	200,
vapor pressure	1 mmHg ( 114 °C)
assay	99%
autoignition temp.	1004 °F
bp	304 °C (lit.)
mp	113-115 °C (lit.)
SMILES string	CC(=O)Nc1ccccc1
InChI	1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
InChI key	FZERHIULMFGESH-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H302
pcodes	P301 + P312 + P330
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 1
Flash Point F	321.8 °F - closed cup
Flash Point C	161 °C - closed cup

Acethydrazide can be used in the synthesis of (E)-N-(2-hydroxybenzylidene)acetohydrazide, an ONO pincer ligand.

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Acethydrazide

Empirical Formula (Hill Notation):	C₂H₆N₂O
Linear Formula:	CH₃CONHNH₂
CAS Number:	1068-57-1
Molecular Weight:	74.08
Beilstein/REAXYS Number:	506165
EC Number:	213-948-7
MDL number:	MFCD00007610
PubChem Substance ID:	24891331
NACRES:	NA.22

5, 25, 100 g in glass bottle

Quality Level	200,
assay	90%
impurities	<10% acetic acid
bp	129 °C/18 mmHg (lit.)
mp	58-68 °C (lit.)
SMILES string	CC(=O)NN
InChI	1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)
InChI key	OFLXLNCGODUUOT-UHFFFAOYSA-N

pictograms	GHS06,GHS08
signalword	Danger
hcodes	H301 - H315 - H319 - H341 - H351
pcodes	P201 - P301 + P310 + P330 - P302 + P352 - P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Faceshields,, Gloves,
RIDADR	UN 2811 6.1 / PGIII
WGK Germany	WGK 1
Flash Point F	235.4 °F - closed cup
Flash Point C	113 °C - closed cup

Acetoacetamide is a degradation product of acesulfame-K, sweetener. Acetoacetamide undergoes alkaline hydrolysis to form salt of acetoacetic acid.

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Acetoacetamide

Empirical Formula (Hill Notation):	C₄H₇NO₂
Linear Formula:	CH₃COCH₂CONH₂
CAS Number:	5977-14-0
Molecular Weight:	101.10
Beilstein/REAXYS Number:	1560550
EC Number:	227-774-4
MDL number:	MFCD00025528
PubChem Substance ID:	24859750

Acetoacetamide was used in a study to assess the stability of artificial sweeteners- aspartame, acesulfame-K and binary sweetener blend of aspartame x acesulfame-K during storage. Acetoacetamide was also used in analysis of multiple sweeteners and their degradation products in lassi by HPLC.

100, 500 g in glass bottle

Quality Level	200,
assay	97%
mp	53-56 °C (lit.)
solubility	water: soluble 1 g/10 mL, clear, colorless
SMILES string	CC(=O)CC(N)=O
InChI	1S/C4H7NO2/c1-3(6)2-4(5)7/h2H2,1H3,(H2,5,7)
InChI key	GCPWJFKTWGFEHH-UHFFFAOYSA-N

Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	NONH for all modes of transport
WGK Germany	WGK 1
Flash Point F	235.4 °F - closed cup
Flash Point C	113 °C - closed cup

Acetoacetanilide (N-phenyl-3-oxobutanamide) undergoes condensation reaction with o-phenylenediamine to afford a Schiff base. Dielectric constant of acetoacetanilide crystals were found to increase on exposure to 120MeV Ag13+ ions due to increase in number of defects. Acetoacetanilide/Ce4+ system serves as an initiator during the polymerization of vinyl monomers.

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Acetoacetanilide

Empirical Formula (Hill Notation):	C₁₀H₁₁NO₂
Linear Formula:	CH₃COCH₂CONHC₆H₅
CAS Number:	102-01-2
Molecular Weight:	177.20
Beilstein/REAXYS Number:	473419
EC Number:	202-996-4
MDL number:	MFCD00008780
PubChem Substance ID:	24878321
NACRES:	NA.22

Acetoacetanilide may be used to synthesize:

azo pigments
acetoacetanilido-4-aminoantipyrine (Schiff base)
6-aryl-2-methyl-4-oxo-N,N-diphenyl-2-cyclohexene-1,3-dicarboxamides
photoluminescent lanthanide complexes

500 g in poly bottle

vapor density	6.1 (vs air)
Quality Level	100,
assay	≥99.5%
autoignition temp.	843 °F
mp	83-88 °C (lit.)
SMILES string	CC(=O)CC(=O)Nc1ccccc1
InChI	1S/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)
InChI key	DYRDKSSFIWVSNM-UHFFFAOYSA-N

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3

Acetohydroxamic acid is a potent inhibitor of bacterial urease activity and reduces urinary ammonia levels. 2-Acetohydroxamic acid loaded floating microspheres forms an efficient drug delivery system for the treatment of Helicobacter pylori.

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Acetohydroxamic acid

Empirical Formula (Hill Notation):	C₂H₅NO₂
Linear Formula:	CH₃CONHOH
CAS Number:	546-88-3
Molecular Weight:	75.07
Beilstein/REAXYS Number:	1739019
EC Number:	208-913-8
MDL number:	MFCD00009994
PubChem Substance ID:	24849786

Acetohydroxamic acid was used:

to study the mechanism of complexation of iron (III) with acetohydroxamic acid
to study the inhibitory mechanism of lansoprazole and omeprazole on Helicobacter pyloni
in urease inhibition studies
for in situ generation of nitrosocarbonylmethane as a Diels-Alder dienophile

Used in urease inhibition studies and for in situ generation of nitrosocarbonylmethane as a Diels-Alder dienophile.

5, 10, 50 g in glass bottle

Quality Level	100,
assay	98%
mp	88-90 °C (lit.)
SMILES string	CC(NO)=O
InChI	1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
InChI key	RRUDCFGSUDOHDG-UHFFFAOYSA-N
Gene Information	human ... CA2(760), MMP3(4314)

pictograms	GHS08
signalword	Danger
hcodes	H360
pcodes	P201 - P308 + P313
Personal Protective Equipment	Eyeshields,, Gloves,, type P2 (EN 143) respirator cartridges,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3

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Acetoin

Empirical Formula (Hill Notation):	C₄H₈O₂
Linear Formula:	CH₃COCH(OH)CH₃
CAS Number:	513-86-0
Molecular Weight:	88.11
Beilstein/REAXYS Number:	385636
EC Number:	208-174-1
MDL number:	MFCD00004521
PubChem Substance ID:	24890588
NACRES:	NA.22

Quality Level	100,
assay	98.0% (GC)
refractive index	n20/D 1.417 (lit.)
bp	148 °C (lit.)
mp	15 °C (monomer), 90 °C (dimer) (lit.)
density	1.013 g/mL at 25 °C (lit.)
food allergen	no known allergens
storage temp.	2-8°C
SMILES string	CC(O)C(C)=O
InChI	1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3
InChI key	ROWKJAVDOGWPAT-UHFFFAOYSA-N

pictograms	GHS02,GHS05
signalword	Danger
hcodes	H226 - H318
pcodes	P210 - P233 - P240 - P241 - P280 - P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	UN 2621 3 / PGIII
WGK Germany	WGK 1
Flash Point F	118.4 °F - closed cup
Flash Point C	48 °C - closed cup

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Acetone azine

Empirical Formula (Hill Notation):	C₆H₁₂N₂
Linear Formula:	(CH₃)₂C=NN=C(CH₃)₂
CAS Number:	627-70-3
Molecular Weight:	112.17
MDL number:	MFCD00015645
PubChem Substance ID:	24856533
NACRES:	NA.02

Quality Level	100,
assay	98%
refractive index	n20/D 1.454 (lit.)
bp	133 °C/763 mmHg (lit.)
mp	125 °C (lit.)
density	0.842 g/mL at 25 °C (lit.)
SMILES string	C\C(C)=N/N=C(/C)C
InChI	1S/C6H12N2/c1-5(2)7-8-6(3)4/h1-4H3
InChI key	PFLUPZGCTVGDLV-UHFFFAOYSA-N

pictograms	GHS02,GHS06,GHS08
signalword	Danger
hcodes	H226 - H302 - H311 - H315 - H319 - H335 - H350
pcodes	P201 - P210 - P280 - P301 + P312 + P330 - P302 + P352 + P312 - P308 + P313
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 1992 6.1(3) / PGIII
WGK Germany	WGK 3
Flash Point F	87.8 °F - closed cup
Flash Point C	31 °C - closed cup

Acetone cyanohydrin can be used as a cyanide source for:

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Acetone cyanohydrin

Empirical Formula (Hill Notation):	C₄H₇NO
Linear Formula:	(CH₃)₂C(OH)CN
CAS Number:	75-86-5
Molecular Weight:	85.10
Beilstein/REAXYS Number:	605391
EC Number:	200-909-4
MDL number:	MFCD00004455
PubChem Substance ID:	24890489
NACRES:	NA.02

Cyanation reactions of aryl halides, aldehydes and alcohols.
Stereospecific epoxide ring opening.
Strecker reaction of -amido sulfones to synthesize -amino nitriles.

5, 100, 500 g in glass bottle

vapor pressure	0.3 psi ( 20 °C)
Quality Level	200,
assay	99%
contains	H₃PO₄ as stabilizer (Europe), sulfuric acid as stabilizer (US)
expl. lim.	11 %
refractive index	n20/D 1.399 (lit.)
bp	82 °C/23 mmHg (lit.)
mp	19 °C (lit.)
density	0.932 g/mL at 25 °C (lit.)
SMILES string	CC(C)(O)C#N
InChI	1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
InChI key	MWFMGBPGAXYFAR-UHFFFAOYSA-N

pictograms	GHS06,GHS09
signalword	Danger
hcodes	H300 + H310 + H330 - H410
pcodes	P260 - P262 - P273 - P280 - P302 + P352 + P310 - P304 + P340 + P310
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 1541 6.1 / PGI
WGK Germany	WGK 3
Flash Point F	167.0 °F - closed cup
Flash Point C	75 °C - closed cup

Подробнее

Acetone oxime

Empirical Formula (Hill Notation):	C₃H₇NO
Linear Formula:	(CH₃)₂C=NOH
CAS Number:	127-06-0
Molecular Weight:	73.09
Beilstein/REAXYS Number:	1560146
EC Number:	204-820-1
MDL number:	MFCD00002118
PubChem Substance ID:	24890499
NACRES:	NA.02

Quality Level	200,
assay	98%
bp	135 °C (lit.)
mp	60-63 °C (lit.)
density	0.901 g/mL at 25 °C (lit.)
SMILES string	C\C(C)=N/O
InChI	1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3
InChI key	PXAJQJMDEXJWFB-UHFFFAOYSA-N

pictograms	GHS02,GHS05,GHS07,GHS08
signalword	Danger
hcodes	H228 - H312 - H317 - H318 - H351
pcodes	P201 - P210 - P280 - P302 + P352 + P312 - P305 + P351 + P338 + P310 - P308 + P313
Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	UN1325 - class 4.1 - PG 3 - Flammable solids, organic, n.o.s., HI: all
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

Подробнее

Acetophenone oxime

Empirical Formula (Hill Notation):	C₈H₉NO
CAS Number:	613-91-2
Molecular Weight:	135.16
EC Number:	210-360-2
MDL number:	MFCD00013931
PubChem Substance ID:	24883415
NACRES:	NA.22

Quality Level	100,
assay	95%
bp	118-120 °C/20 mmHg (lit.)
mp	55-60 °C (lit.)
density	1.11 g/mL at 25 °C (lit.)
storage temp.	−20°C
SMILES string	C\C(=N/O)c1ccccc1
InChI	1S/C8H9NO/c1-7(9-10)8-5-3-2-4-6-8/h2-6,10H,1H3/b9-7+
InChI key	JHNRZXQVBKRYKN-VQHVLOKHSA-N

Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type P2 (EN 143) respirator cartridges,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3

Acetoxyacetic acid is kinetically stable degradation product of oxidative degradation of 1,3-dialkylimidazolium ionic liquids in hydrogen peroxide/aceticacid aqueous medium assisted by ultrasonic chemical irradiation. It is an intermediate formed during reactions of manganic acetate in glacial acetic acid with benzene (100°C), chlorobenzene, or toluene.

Подробнее

Acetoxyacetic acid

Empirical Formula (Hill Notation):	C₄H₆O₄
Linear Formula:	CH₃CO₂CH₂CO₂H
CAS Number:	13831-30-6
Molecular Weight:	118.09
EC Number:	237-541-9
MDL number:	MFCD00011551
PubChem Substance ID:	24858247
NACRES:	NA.22

Acetoxyacetic acid was used in preparation of tert-butyl glycolate.

Quality Level	100,
assay	99%
bp	141-142 °C/12 mmHg (lit.)
mp	67-69 °C (lit.)
SMILES string	CC(=O)OCC(O)=O
InChI	1S/C4H6O4/c1-3(5)8-2-4(6)7/h2H2,1H3,(H,6,7)
InChI key	MLXDUYUQINCFFV-UHFFFAOYSA-N

pictograms	GHS05
signalword	Danger
hcodes	H314
pcodes	P280 - P305 + P351 + P338 - P310
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type P1 (EN143) respirator filter,, type P3 (EN 143) respirator cartridges,
RIDADR	UN 3261 8 / PGII
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

Acetoxyacetyl chloride was used in synthesis of stabilized axial and equatorial conformers of spiro-β-lactams and glycolylhydroxamic acids.

Подробнее

Acetoxyacetyl chloride

Empirical Formula (Hill Notation):	C₄H₅ClO₃
Linear Formula:	CH₃CO₂CH₂COCl
CAS Number:	13831-31-7
Molecular Weight:	136.53
EC Number:	237-542-4
MDL number:	MFCD00011535
PubChem Substance ID:	24858248
NACRES:	NA.22

Quality Level	100,
assay	97%
refractive index	n20/D 1.428 (lit.)
bp	55 °C/12 mmHg (lit.)
density	1.27 g/mL at 25 °C (lit.)
SMILES string	CC(=O)OCC(Cl)=O
InChI	1S/C4H5ClO3/c1-3(6)8-2-4(5)7/h2H2,1H3
InChI key	HZDNNJABYXNPPV-UHFFFAOYSA-N

pictograms	GHS05,GHS07
signalword	Danger
hcodes	H314 - H335
pcodes	P261 - P280 - P305 + P351 + P338 - P310
Target Organs	Respiratory system
Supp Hazards	EUH014
Personal Protective Equipment	Faceshields,, Gloves,, Goggles,, type ABEK (EN14387) respirator filter,
RIDADR	UN 3265 8 / PGII
WGK Germany	WGK 3
Flash Point F	159.8 °F - closed cup
Flash Point C	71 °C - closed cup

Acetyl bromide effectively mediates Nazarov cyclization of a cross-conjugated pentadienone to give (±)-methyl rocaglate. It is added to dissolve Arabidopsis lignin during acetyl bromide method for rapid microscale determination of lignin content in Arabidopsis.

Подробнее

Acetyl bromide

Empirical Formula (Hill Notation):	C₂H₃BrO
Linear Formula:	CH₃COBr
CAS Number:	506-96-7
Molecular Weight:	122.95
Beilstein/REAXYS Number:	1697546
EC Number:	208-061-7
MDL number:	MFCD00000114
PubChem Substance ID:	24848248
NACRES:	NA.22

Acetyl bromide can be used:

In the quantification of lignin in cell wall residues of Arabidopsis.
In the total synthesis of cinchona alkaloids named quinidine and quinine.
To prepare 9,10-diarylanthracenes and triarylmethanes by reacting with arenes and various aromatic aldehydes using ZnBr2/SiO2.
To prepare glycosyl bromides from free sugars or their peracetates.

100, 500 g in glass bottle

vapor density	4.3 (vs air)
Quality Level	200,
vapor pressure	92.2 mmHg ( 25 °C)
assay	99%
refractive index	n20/D 1.45 (lit.)
bp	75-77 °C (lit.)
mp	96 °C (lit.)
solubility	benzene: miscible, chloroform: miscible, diethyl ether: miscible
density	1.663 g/mL at 25 °C (lit.)
SMILES string	CC(Br)=O
InChI	1S/C2H3BrO/c1-2(3)4/h1H3
InChI key	FXXACINHVKSMDR-UHFFFAOYSA-N

pictograms	GHS05
signalword	Danger
hcodes	H290 - H314
pcodes	P234 - P280 - P301 + P330 + P331 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
Supp Hazards	EUH014
Personal Protective Equipment	Faceshields,, Gloves,, Goggles,, type ABEK (EN14387) respirator filter,
RIDADR	UN 1716 8 / PGII
WGK Germany	WGK 3
Flash Point F	350.6 °F - closed cup
Flash Point C	177 °C - closed cup

Acetyl chloride undergoes reaction with decalin and aluminum trichloride to afford a tricyclic enol ether. It promotes the cyclopropanation of alkene with dibromomethane or diiodomethane in the presence of Zn dust and copper chloride in ether. Friedel-Crafts reaction of acetyl chloride with benzene in the presence of MCl3 (M = Al or Fe) in the ionic liquid 1-butyl-3-methylimidazolium chloride affords MCl3 adducts of the acetyl chloride, the acetylium ion [CH3CO]+[MCl4]- and the MCl3 adduct of acetophenone.

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Acetyl chloride 320129-1KG

Empirical Formula (Hill Notation):	C₂H₃ClO
Linear Formula:	CH₃COCl
CAS Number:	75-36-5
Molecular Weight:	78.50
Beilstein/REAXYS Number:	605303
EC Number:	200-865-6
MDL number:	MFCD00000719
PubChem Substance ID:	24859250
NACRES:	NA.22

General description

1 kg in PVC-coated bottle

grade	reagent grade
Quality Level	200,
vapor density	2.7 (vs air)
vapor pressure	11.69 psi ( 20 °C), 32.33 psi ( 55 °C)
assay	98%
autoignition temp.	1353 °F
expl. lim.	19 %
refractive index	n20/D 1.389 (lit.)
bp	52 °C (lit.)
mp	112 °C (lit.)
density	1.104 g/mL at 25 °C (lit.)
SMILES string	CC(Cl)=O
InChI	1S/C2H3ClO/c1-2(3)4/h1H3
InChI key	WETWJCDKMRHUPV-UHFFFAOYSA-N

pictograms	GHS02,GHS05
signalword	Danger
hcodes	H225 - H314
pcodes	P210 - P260 - P280 - P305 + P351 + P338 - P370 + P378 - P403 + P235
Supp Hazards	EUH014 - EUH071
RIDADR	UN 1717 8(3) / PGII
WGK Germany	WGK 1
Flash Point F	41.0 °F - closed cup
Flash Point C	5 °C - closed cup

Acetyl chloride (AcCl) can be used as:

Подробнее

Acetyl chloride solution

Empirical Formula (Hill Notation):	C₂H₃ClO
CAS Number:	75-36-5
Molecular Weight:	78.50
MDL number:	MFCD00000719
PubChem Substance ID:	329762802
NACRES:	NA.22

An acylating reagent to prepare useful key intermediates in organic synthesis.
A reagent to convert oxathioacetals and dithioacetals into corresponding carbonyl compounds in the presence of sodium nitrite.
An activating or acylating reagent in solid-phase organic synthesis.
A reagent to prepare various alkyl and aryl tetrahydropyranyl ethers from corresponding alcohols.

100, 500 mL in Sure/Seal™

Quality Level	100,
concentration	1 M in methylene chloride
refractive index	n20/D 1.423
density	1.294 g/mL at 25 °C
SMILES string	CC(Cl)=O
InChI	1S/C2H3ClO/c1-2(3)4/h1H3
InChI key	WETWJCDKMRHUPV-UHFFFAOYSA-N

pictograms	GHS02,GHS05,GHS07,GHS08
signalword	Danger
hcodes	H225 - H314 - H336 - H351
pcodes	P210 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 + P310 - P370 + P378
Target Organs	Central nervous system
Supp Hazards	EUH014 - EUH071
Personal Protective Equipment	Faceshields,, Gloves,, Goggles,, type ABEK (EN14387) respirator filter,
RIDADR	UN 3286 8(6.1)(3) / PGII
WGK Germany	WGK 2
Flash Point F	39.9 °F
Flash Point C	4.4 °C

Acetylacetone is a chelating ligand and forms organometallic complexes that are used as gasoline additives, lubricant additives, driers for varnishes and printer′s inks, fungicides, insecticides and colors. It is a selective extraction reagent for determination of molybdenum in ferrous materials.

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Acetylacetone

Empirical Formula (Hill Notation):	C₅H₈O₂
Linear Formula:	CH₃COCH₂COCH₃
CAS Number:	123-54-6
Molecular Weight:	100.12
Beilstein/REAXYS Number:	741937
EC Number:	204-634-0
MDL number:	MFCD00008787
eCl@ss:	39021208
PubChem Substance ID:	57646851
NACRES:	NA.22

Acetylacetone was used in preparing Y203, La203 and La2CuO4 thin films and the titanate/anatase dual-phase photocatalyst.

1 kg in poly bottle

prices for bulk quantities on request

Quality Level	200,
grade	produced by Wacker Chemie AG, Burghausen, Germany
vapor density	3.5 (vs air)
vapor pressure	6 mmHg ( 20 °C)
assay	99.5% (GC)
form	liquid
autoignition temp.	662 °F
expl. lim.	11.4 %
refractive index	n20/D 1.452 (lit.)
pH	6 (20 °C, 200 g/L)
bp	140.4 °C (lit.)
mp	23 °C (lit.)
solubility	H₂O: soluble 1 in 8 parts, acetone: miscible, alcohol: miscible, benzene: miscible, chloroform: miscible, diethyl ether: miscible, glacial acetic acid: miscible
density	0.975 g/mL at 25 °C (lit.)
SMILES string	CC(=O)CC(C)=O
InChI	1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
InChI key	YRKCREAYFQTBPV-UHFFFAOYSA-N
Gene Information	human ... ACHE(43), BCHE(590), CES1(1066)

pictograms	GHS02,GHS06
signalword	Danger
hcodes	H226 - H302 - H311 + H331
pcodes	P210 - P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P311
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 2310 6.1(3) / PGIII
WGK Germany	WGK 1
Flash Point F	95.0 °F - Non-equilibrium method
Flash Point C	35 °C - Non-equilibrium method

Acetylenedicarboxylic acid is generally used to synthesize its ester derivatives, dimethyl acetylenedicarboxylate (DMAD) and dimethyl acetylenedicarboxylate, which are useful precursors in organic synthesis.
Some of the common applications are listed below:

Подробнее

Acetylenedicarboxylic acid

Empirical Formula (Hill Notation):	C₄H₂O₄
Linear Formula:	HOOCC≡CCOOH
CAS Number:	142-45-0
Molecular Weight:	114.06
Beilstein/REAXYS Number:	878357
EC Number:	205-536-0
MDL number:	MFCD00004362
PubChem Substance ID:	24890553
NACRES:	NA.22

Acetylenedicarboxylic acid and its ester derivatives can undergo Cu(I)-catalyzed radical addition with acetophenones to yield furan derivatives.
It is one of the shortest linear links used in the preparation of Covalent Organic Frameworks (COFs) and Metal Organic Frameworks (MOFs) like IRMOF-0.
Various hexaarylbenzenes can be built via oxidative cyclodehydrogenation of diaryl alkynes derived from acetylenedicarboxylic acid.
It can be used as a spacer while synthesizing molecular chains or dendrimers such as 2,3,8-trifunctionalized indenoquinoxaline dendrons and bisarylacetylene chromophores.

Quality Level	200,
assay	95%
mp	180-187 °C (dec.) (lit.)
storage temp.	2-8°C
SMILES string	OC(=O)C#CC(O)=O
InChI	1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)
InChI key	YTIVTFGABIZHHX-UHFFFAOYSA-N

pictograms	GHS06
signalword	Danger
hcodes	H301 - H315 - H319 - H335
pcodes	P301 + P310 + P330 - P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type P2 (EN 143) respirator cartridges,
RIDADR	UN 2811 6.1 / PGIII
WGK Germany	WGK 3
Flash Point F	267.8 °F
Flash Point C	131 °C

Подробнее

Acetylenedicarboxylic acid monopotassium salt

Empirical Formula (Hill Notation):	C₄HKO₄
Linear Formula:	HOOCC≡CCOOK
CAS Number:	928-04-1
Molecular Weight:	152.15
Beilstein/REAXYS Number:	3571639
EC Number:	213-169-2
MDL number:	MFCD00013143
PubChem Substance ID:	24890557
NACRES:	NA.22

Quality Level	100,
assay	≥98%
SMILES string	[K+].OC(=O)C#CC([O-])=O
InChI	1S/C4H2O4.K/c5-3(6)1-2-4(7)8;/h(H,5,6)(H,7,8);/q;+1/p-1
InChI key	KLLYWRUTRAFSJT-UHFFFAOYSA-M

pictograms	GHS06
signalword	Danger
hcodes	H301 - H315 - H319 - H335
pcodes	P301 + P310 + P330 - P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type P1 (EN143) respirator filter,, type P3 (EN 143) respirator cartridges,
RIDADR	UN 2811 6.1 / PGI
WGK Germany	WGK 1

Acetylmalononitrile is a malonitrile derivative and its rate accelerating effect on 2,2,6,6-tetramethylpiperidinyloxy (TEMPO)-mediated living free radical polymerization (LFRP) is reported.

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Acetylmalononitrile

Empirical Formula (Hill Notation):	C₅H₄N₂O
Linear Formula:	CH₃COCH(CN)₂
CAS Number:	1187-11-7
Molecular Weight:	108.10
MDL number:	MFCD00129155
PubChem Substance ID:	24862010
NACRES:	NA.22

5 g in glass bottle

Quality Level	100,
assay	98%
mp	138-141 °C (lit.)
SMILES string	CC(=O)C(C#N)C#N
InChI	1S/C5H4N2O/c1-4(8)5(2-6)3-7/h5H,1H3
InChI key	FGRLXMNNTHBYKL-UHFFFAOYSA-N

pictograms	GHS07
signalword	Warning
hcodes	H302 + H312 - H315 - H319 - H335
pcodes	P280 - P301 + P312 + P330 - P302 + P352 + P312 - 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

Acrolein diethyl acetal is widely used to carry out chemoselective Heck arylation to synthesize either 3-arylpropanoate esters or cinnamaldehyde derivatives.

It can also be used as one of the precursors to synthesize natural products like ()-(Z)-Deoxypukalide, ()-Laulimalide, botryodiplodin, neolaulimalide and isolaulimalide.

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Acrolein diethyl acetal

Empirical Formula (Hill Notation):	C₇H₁₄O₂
Linear Formula:	CH₂=CHCH(OCH₂CH₃)₂
CAS Number:	3054-95-3
Molecular Weight:	130.18
Beilstein/REAXYS Number:	1701567
EC Number:	221-276-0
MDL number:	MFCD00009239
PubChem Substance ID:	24890652
NACRES:	NA.22

25, 100 g in glass bottle

Quality Level	200,
assay	96%
refractive index	n20/D 1.398 (lit.)
bp	125 °C (lit.)
density	0.854 g/mL at 25 °C (lit.)
SMILES string	CCOC(OCC)C=C
InChI	1S/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3
InChI key	MCIPQLOKVXSHTD-UHFFFAOYSA-N

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H319
pcodes	P210 - P305 + P351 + P338
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 2374 3 / PGII
WGK Germany	WGK 3
Flash Point F	59.0 °F - closed cup
Flash Point C	15 °C - closed cup

Acrolein dimethyl acetal undergoes cationic α-diimine palladium chelate catalyzed copolymerization with ethene to yield branched copolymers.

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Acrolein dimethyl acetal

Empirical Formula (Hill Notation):	C₅H₁₀O₂
Linear Formula:	H₂C=CHCH(OCH₃)₂
CAS Number:	6044-68-4
Molecular Weight:	102.13
Beilstein/REAXYS Number:	1700037
EC Number:	227-936-4
MDL number:	MFCD00008632
PubChem Substance ID:	24851444

Acrolein dimethyl acetal was used in the facile one step synthesis of 4-hydroxy-2E-nonenal and its dimethyl acetal via a cross-metathesis reaction with octen-3-ol.

5, 25 mL in glass bottle

Quality Level	100,
assay	98%
refractive index	n20/D 1.395 (lit.)
bp	89-90 °C (lit.)
density	0.862 g/mL at 25 °C (lit.)
SMILES string	COC(OC)C=C
InChI	1S/C5H10O2/c1-4-5(6-2)7-3/h4-5H,1H2,2-3H3
InChI key	OBWGMYALGNDUNM-UHFFFAOYSA-N

pictograms	GHS02
signalword	Danger
hcodes	H225
pcodes	P210
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 1993BE 3 / PGII
WGK Germany	WGK 3
Flash Point F	26.6 °F - closed cup
Flash Point C	-3 °C - closed cup

Adamantane is the structural backbone of various medicinally important compounds such as amantadine, memantine, saxagliptin and vildagliptin. It is used in the synthesis of adamantine-based dirhodium tetracarboxylate catalyst for carbenoid reactions. It can also be used as a seeding material for the nucleation of nanocrystalline diamond films.

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Adamantane

Empirical Formula (Hill Notation):	C₁₀H₁₆
CAS Number:	281-23-2
Molecular Weight:	136.23
Beilstein/REAXYS Number:	1901173
EC Number:	206-001-4
MDL number:	MFCD00074719
PubChem Substance ID:	24846519
NACRES:	NA.22

25, 100 g in poly bottle

Quality Level	100,
assay	≥99%
mp	209-212 °C (subl.) (lit.)
SMILES string	C1[C@H]2C[C@H]3C[C@@H]1C[C@@H](C2)C3
InChI	1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2/t7-,8+,9-,10+
InChI key	ORILYTVJVMAKLC-YNFQOJQRSA-N

hcodes	H413
pcodes	P273
Personal Protective Equipment	Eyeshields,, Gloves,, type N95 (US),
RIDADR	UN 3077 9 / PGIII
WGK Germany	WGK 2
Flash Point F	Not applicable
Flash Point C	Not applicable

Adipamide has been used in the preparation of bisimidates.

Подробнее

CDS002865-100MG

Adamantane-1-carboxamidine hydrochloride CDS002865-100MG

Empirical Formula (Hill Notation): C₁₁H₁₉ClN₂

Molecular Weight: 214.73

MDL number: MFCD00167793

PubChem Substance ID: 329779807

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 Cl.NC(=N)C12C[C@@H]3C[C@@H](C[C@@H](C3)C1)C2

InChI 1S/C11H18N2.ClH/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;/h7-9H,1-6H2,(H3,12,13);1H/t7-,8+,9-,11-;

Inchi Key OJNFQKIOKKMCIM-IBVYXAFHSA-N

Safety Information

pictograms GHS07

signalword Warning

hcodes H302

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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Adipamide

Empirical Formula (Hill Notation):	C₆H₁₂N₂O₂
Linear Formula:	H₂NCO(CH₂)₄CONH₂
CAS Number:	628-94-4
Molecular Weight:	144.17
EC Number:	211-062-5
MDL number:	MFCD00008045
PubChem Substance ID:	24857616
NACRES:	NA.22

5 g in glass bottle

Quality Level	100,
assay	98%
mp	226-229 °C (lit.)
solubility	formic acid: soluble 50 mg/mL, clear, colorless to faintly yellow
SMILES string	NC(=O)CCCCC(N)=O
InChI	1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
InChI key	GVNWZKBFMFUVNX-UHFFFAOYSA-N

Personal Protective Equipment	dust mask type N95 (US),, Eyeshields,, Gloves,
RIDADR	NONH for all modes of transport
WGK Germany	WGK 2
Flash Point F	Not applicable
Flash Point C	Not applicable

Adipic acid monoethyl ester (AMME) suppresses the spore germination and mycelium development in phytopathogen Botrytis cinerea.AMME has antifungal properties.

Подробнее

Adipic acid monoethyl ester

Empirical Formula (Hill Notation):	C₈H₁₄O₄
Linear Formula:	HO₂C(CH₂)₄CO₂C₂H₅
CAS Number:	626-86-8
Molecular Weight:	174.19
EC Number:	210-966-7
MDL number:	MFCD00004419
PubChem Substance ID:	24847506
NACRES:	NA.22

Biochem/physiol Actions

Quality Level	100,
assay	97%
refractive index	n20/D 1.439 (lit.)
bp	180 °C/18 mmHg (lit.)
mp	28-29 °C (lit.)
solubility	H₂O: soluble 50 mg/mL, clear, colorless
density	0.98 g/mL at 25 °C (lit.)
SMILES string	CCOC(=O)CCCCC(O)=O
InChI	1S/C8H14O4/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3,(H,9,10)
InChI key	UZNLHJCCGYKCIL-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

Adiponitrile is a key precursor for manufacturing nylon-6,6. It can undergo catalytic hydrogenation to form hexamethylenediamine (HMD). ADN shows promising potential as a solvent for electrolyte solutions used in high-voltage lithium batteries due to its high anodic and thermal stability.

Подробнее

Adiponitrile

Empirical Formula (Hill Notation):	C₆H₈N₂
Linear Formula:	NC(CH₂)₄CN
CAS Number:	111-69-3
Molecular Weight:	108.14
Beilstein/REAXYS Number:	1740005
EC Number:	203-896-3
MDL number:	MFCD00001975
PubChem Substance ID:	24894156
NACRES:	NA.22

1 L in glass bottle
100 mL in glass bottle

Quality Level	100,
vapor density	3.7 (vs air)
vapor pressure	0.01 mmHg ( 40 °C)
assay	99%
autoignition temp.	1022 °F
expl. lim.	4.99 %
refractive index	n20/D 1.438 (lit.)
bp	295 °C (lit.)
mp	1-3 °C (lit.)
density	0.951 g/mL at 25 °C (lit.)
SMILES string	N#CCCCCC#N
InChI	1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
InChI key	BTGRAWJCKBQKAO-UHFFFAOYSA-N

pictograms	GHS06
signalword	Danger
hcodes	H301 - H332
pcodes	P301 + P310 + P330 - P304 + P340 + P312
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 2205 6.1 / PGIII
WGK Germany	WGK 1
Flash Point F	325.4 °F - closed cup
Flash Point C	163 °C - closed cup

Подробнее

Aldol CDS019977-100MG

Empirical Formula (Hill Notation):	C₄H₈O₂
Molecular Weight:	88.11
EC Number:	203-530-2
MDL number:	MFCD00024164
PubChem Substance ID:	329793352

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.

SMILES string	CC(O)CC=O
InChI	1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3
InChI key	HSJKGGMUJITCBW-UHFFFAOYSA-N

pictograms	GHS06
signalword	Danger
hcodes	H310 - H319
pcodes	P262 - P280 - P302 + P352 + P310 - P305 + P351 + P338
RIDADR	UN2839 - class 6.1 - PG 2 - Aldol
WGK Germany	WGK 3
Flash Point F	Not applicable
Flash Point C	Not applicable

Подробнее

Allenylboronic acid pinacol ester

Empirical Formula (Hill Notation):	C₉H₁₅BO₂
CAS Number:	865350-17-0
Molecular Weight:	166.03
MDL number:	MFCD09265121
PubChem Substance ID:	24885433
NACRES:	NA.22

Quality Level	100,
assay	95%
refractive index	n20/D 1.459
density	0.9237 g/mL at 25 °C
storage temp.	2-8°C
SMILES string	CC1(C)OB(OC1(C)C)C=C=C
InChI	1S/C9H15BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h7H,1H2,2-5H3
InChI key	CJAOMXUZZONOSD-UHFFFAOYSA-N

Personal Protective Equipment	Eyeshields,, Gloves,, multi-purpose combination respirator cartridge (US),
RIDADR	NA 1993 / PGIII
WGK Germany	WGK 3
Flash Point F	150.1 °F - closed cup
Flash Point C	65.6 °C - closed cup

Allyl alcohol is an industrially important olefinic alcohol. It is the raw material for the synthesis of a wide range of allylic derivatives such as allyl diglycol carbonate, allyl glycidyl ether, 1,4-butanediol, poly(styrene-allyl alcohol), etc. These derivatives find application as lens, coupling agents, plasticizers, crosslinking agents and coating additives. Allyl alcohol can be prepared by the rhenium catalyzed-deoxydehydration of glycerol.
The partial oxidation of allyl alcohol over oxygen-precovered gold surface was studied.

Подробнее

Allyl alcohol

Empirical Formula (Hill Notation):	C₃H₆O
Linear Formula:	CH₂=CHCH₂OH
CAS Number:	107-18-6
Molecular Weight:	58.08
Beilstein/REAXYS Number:	605307
EC Number:	203-470-7
MDL number:	MFCD00002920
PubChem Substance ID:	57648048

Used to induce a mouse model of liver damage that has been used to study the mechanisms of hepatotoxicity and hepatic stem cell-mediated repair.
Allyl alcohol may be used in the preparation of propylene via photocatalytic transfer hydrogenolysis in the presence of Pd/TiO2 catalysts.
Allyl alcohol was used to grow fitter yeast (Saccharomyces cerevisiae).

5 mL in glass bottle
100, 500 mL in Sure/Seal™

vapor density	2 (vs air)
Quality Level	200,
vapor pressure	23.8 mmHg ( 25 °C)
assay	99%
autoignition temp.	712 °F
expl. lim.	18 %
refractive index	n20/D 1.412 (lit.)
bp	96-98 °C (lit.)
mp	129 °C (lit.)
solubility	alcohol: miscible(lit.), chloroform: miscible(lit.), diethyl ether: miscible(lit.), water: miscible(lit.)
density	0.854 g/mL at 25 °C (lit.)
SMILES string	OCC=C
InChI	1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
InChI key	XXROGKLTLUQVRX-UHFFFAOYSA-N

pictograms	GHS02,GHS06,GHS09
signalword	Danger
hcodes	H225 - H301 + H311 + H331 - H315 - H319 - H335 - H400
pcodes	P210 - P273 - P280 - P301 + P310 + P330 - P302 + P352 + P312 - P304 + P340 + P311
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN1098 - class 6.1 - PG 1 - Allyl alcohol
WGK Germany	WGK 2
Flash Point F	71.6 °F - closed cup
Flash Point C	22 °C - closed cup

Подробнее

Allyl carbamate 736686-1G

Empirical Formula (Hill Notation):	C₄H₇NO₂
CAS Number:	2114-11-6
Molecular Weight:	101.10
EC Number:	218-309-6
MDL number:	MFCD00025468
PubChem Substance ID:	329765131
NACRES:	NA.22

Quality Level	100,
assay	95%
refractive index	n20/D 1.454
density	1.077 g/mL at 25 °C
storage temp.	20°C
SMILES string	NC(=O)OCC=C
InChI	1S/C4H7NO2/c1-2-3-7-4(5)6/h2H,1,3H2,(H2,5,6)
InChI key	OCAAZRFBJBEVPS-UHFFFAOYSA-N

pictograms	GHS07,GHS09
signalword	Warning
hcodes	H302 - H319 - H400
pcodes	P273 - P301 + P312 + P330 - P305 + P351 + P338
RIDADR	UN 3077 9 / PGIII
WGK Germany	WGK 2
Flash Point F	212.0 °F
Flash Point C	100 °C

Allyl chloride can be used as a reactant to prepare:

Подробнее

Allyl chloride

Empirical Formula (Hill Notation):	C₃H₅Cl
Linear Formula:	CH₂=CHCH₂Cl
CAS Number:	107-05-1
Molecular Weight:	76.52
Beilstein/REAXYS Number:	635704
EC Number:	203-457-6
MDL number:	MFCD00000984
PubChem Substance ID:	57653821
NACRES:	NA.22

1-Allyl-2-alkynylbenzene derivatives through allylalkynylation of in situ generated benzynes.
,-Difunctional intermediates by reacting with fatty acid methyl esters using ruthenium catalysts.
Homoallylic alcohols through Sn/I2 catalyzed Barbier-type allylation reactions of carbonyl compounds.

500 mL in glass bottle
1, 4×1, 2.5 L in glass bottle

The article number A30702-4X1L will be discontinued. Please order the single bottle A30702-1L which is physically identical with the same exact specifications.

grade	reagent grade
Quality Level	200,
vapor density	2.6 (vs air)
vapor pressure	20.58 psi ( 55 °C), 5.71 psi ( 20 °C)
assay	98%
expl. lim.	11.2 %
refractive index	n20/D 1.414 (lit.)
bp	44-46 °C (lit.)
mp	130 °C (lit.)
density	0.939 g/mL at 25 °C (lit.)
storage temp.	2-8°C
SMILES string	ClCC=C
InChI	1S/C3H5Cl/c1-2-3-4/h2H,1,3H2
InChI key	OSDWBNJEKMUWAV-UHFFFAOYSA-N

pictograms	GHS02,GHS06,GHS08,GHS09
signalword	Danger
hcodes	H225 - H301 + H311 + H331 - H315 - H319 - H335 - H341 - H351 - H372 - H400
pcodes	P201 - P210 - P273 - P280 - P301 + P310 + P330 - P302 + P352 + P312
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,
RIDADR	UN1100 - class 3 - PG 1 - Allyl chloride
WGK Germany	WGK 2
Flash Point F	-25.6 °F - closed cup
Flash Point C	-32 °C - closed cup

25, 100 g in glass bottle

Подробнее

Allyl disulfide

Empirical Formula (Hill Notation):	C₆H₁₀S₂
Linear Formula:	CH₂=CHCH₂SSCH₂CH=CH₂
CAS Number:	2179-57-9
Molecular Weight:	146.27
Beilstein/REAXYS Number:	1699241
EC Number:	218-548-6
MDL number:	MFCD00008656
PubChem Substance ID:	24859096
NACRES:	NA.22

Biochem/physiol Actions

Organosulfur compound that is naturally found in garlic. Contributes to the pungent odor of crushed garlic. Anticancer agent and may provide protection against cardiovascular disease.

Remainder other allyl sulfides

grade	technical grade
Quality Level	100,
vapor density	>5 (vs air)
vapor pressure	1 mmHg ( 20 °C)
assay	80%
refractive index	n20/D 1.541 (lit.)
bp	180-195 °C (lit.)
density	1.008 g/mL at 25 °C (lit.)
storage temp.	2-8°C
SMILES string	C=CCSSCC=C
InChI	1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2
InChI key	PFRGXCVKLLPLIP-UHFFFAOYSA-N

pictograms	GHS06
signalword	Danger
hcodes	H301 - H315 - H319 - H335
pcodes	P301 + P310 + P330 - P302 + P352 - P305 + P351 + P338
Target Organs	Respiratory system
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 2810 6.1 / PGIII
WGK Germany	WGK 3
Flash Point F	143.6 °F - closed cup
Flash Point C	62 °C - closed cup

The interaction of allyl iodide with MoO3, Bi2O3 and molybdates of Bi, Co and Mg has been studied in the temperature range of 270-480°C.

Подробнее

Allyl iodide

Empirical Formula (Hill Notation):	C₃H₅I
Linear Formula:	CH₂=CHCH₂I
CAS Number:	556-56-9
Molecular Weight:	167.98
Beilstein/REAXYS Number:	1697594
EC Number:	209-130-4
MDL number:	MFCD00001094
PubChem Substance ID:	24854295
NACRES:	NA.22

Allyl iodide has been employed as:

precursor for generation of allyl radicals to study their recombination in a single pulse shock tube with gas chromatographic measurements
reagent used with allylindium sesquiiodide in the cis-double allylation of cyclopropenes

25, 100 g in glass bottle

Quality Level	100,
assay	98%
contains	copper as stabilizer
refractive index	n20/D 1.554 (lit.)
bp	102-103 °C (lit.)
solubility	alcohol: miscible(lit.), chloroform: miscible(lit.), diethyl ether: miscible(lit.), water: insoluble (practically)(lit.)
density	1.837 g/mL at 25 °C (lit.)
storage temp.	2-8°C
SMILES string	ICC=C
InChI	1S/C3H5I/c1-2-3-4/h2H,1,3H2
InChI key	HFEHLDPGIKPNKL-UHFFFAOYSA-N

pictograms	GHS02,GHS05
signalword	Danger
hcodes	H225 - H314
pcodes	P210 - P280 - P301 + P330 + P331 - P303 + P361 + P353 - P305 + P351 + P338
Personal Protective Equipment	Faceshields,, Gloves,, Goggles,, type ABEK (EN14387) respirator filter,
RIDADR	UN 1723 8(3) / PGII
WGK Germany	WGK 1
Flash Point F	60.8 °F - closed cup
Flash Point C	16 °C - closed cup

The rate constants for the gas phase reactions of ozone, OH radical and NO(3) radical with allyl isocyanate (AIC) were studied.

Подробнее

Allyl isocyanate

Empirical Formula (Hill Notation):	C₄H₅NO
Linear Formula:	CH₂=CHCH₂NCO
CAS Number:	1476-23-9
Molecular Weight:	83.09
Beilstein/REAXYS Number:	506106
MDL number:	MFCD00002044
PubChem Substance ID:	24854606
NACRES:	NA.22

Quality Level	100,
assay	98%
refractive index	n20/D 1.417 (lit.)
bp	87-89 °C (lit.)
density	0.94 g/mL at 25 °C (lit.)
storage temp.	2-8°C
SMILES string	C=CCN=C=O
InChI	1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2
InChI key	HXBPYFMVGFDZFT-UHFFFAOYSA-N

pictograms	GHS02,GHS06,GHS08
signalword	Danger
hcodes	H226 - H301 + H311 + H331 - H315 - H317 - H319 - H334
pcodes	P210 - P280 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338
Personal Protective Equipment	Faceshields,, Gloves,, Goggles,, type ABEK (EN14387) respirator filter,
RIDADR	UN 3080PSN1 3(6.1) / PGII
WGK Germany	WGK 3
Flash Point F	109.4 °F - closed cup
Flash Point C	43 °C - closed cup

Allyl isothiocyanate (AITC) was suitable for use in the following studies:

Подробнее

Allyl isothiocyanate

Empirical Formula (Hill Notation):	C₄H₅NS
Linear Formula:	CH₂=CHCH₂NCS
CAS Number:	57-06-7
Molecular Weight:	99.15
Beilstein/REAXYS Number:	773748
EC Number:	200-309-2
MDL number:	MFCD00004822
PubChem Substance ID:	24863504
NACRES:	NA.22

Quantitation of the N-acetylcysteine conjugate of AITC in human urine after ingestion of mustard.
Evaluation of the fungitoxic activity of AITC vapour on Penicillium expansum on pears, particularly on a thiabendazole (TBZ)-resistant P. expansum strain in vivo, to verify whether AITC treatment could be a substitute for TBZ.
Study of the induction of acetylation of histone in mouse erythroleukemia cells by some organosulfur compounds.

5, 100, 500 g in glass bottle

Biochem/physiol Actions

Naturally occurring constituent of cruciferous vegetables that has anti-tumor and anti-oxidant properties. Induces the activity of phase II detoxification enzymes in the urinary bladder and, thus, may be chemoprotective against bladder cancer.

Quality Level	100,
assay	95%
contains	BHT as stabilizer
refractive index	n20/D 1.529 (lit.)
bp	150 °C (lit.)
mp	80 °C (lit.)
density	1.013 g/mL at 25 °C (lit.)
storage temp.	2-8°C
SMILES string	C=CCN=C=S
InChI	1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
InChI key	ZOJBYZNEUISWFT-UHFFFAOYSA-N

pictograms	GHS02,GHS05,GHS06,GHS09
signalword	Danger
hcodes	H226 - H302 - H310 + H330 - H314 - H317 - H410
pcodes	P210 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
RIDADR	UN 1545 3(6.1) / PGII
WGK Germany	WGK 3
Flash Point F	113.0 °F - closed cup
Flash Point C	45 °C - closed cup

Подробнее

Allyl methyl ether

Empirical Formula (Hill Notation):	C₄H₈O
Linear Formula:	CH₂=CHCH₂OCH₃
CAS Number:	627-40-7
Molecular Weight:	72.11
EC Number:	210-997-6
MDL number:	MFCD00008649
PubChem Substance ID:	24885420
NACRES:	NA.22

Quality Level	100,
assay	97%
refractive index	n20/D 1.3803
bp	42-43 °C/760 mmHg
density	0.768 g/mL at 25 °C
storage temp.	2-8°C
SMILES string	COCC=C
InChI	1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3
InChI key	FASUFOTUSHAIHG-UHFFFAOYSA-N

pictograms	GHS02,GHS07
signalword	Danger
hcodes	H225 - H302 - H319
pcodes	P210 - P301 + P312 + P330 - P305 + P351 + P338
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,
RIDADR	UN 3271 3 / PGII
WGK Germany	WGK 3
Flash Point F	-20.0 °F - closed cup
Flash Point C	< -28.9 °C - closed cup

Подробнее

Allyl methyl sulfide

Empirical Formula (Hill Notation):	C₄H₈S
Linear Formula:	H₂C=CHCH₂SCH₃
CAS Number:	10152-76-8
Molecular Weight:	88.17
EC Number:	233-422-0
MDL number:	MFCD00008657
PubChem Substance ID:	24890770
NACRES:	NA.22

Quality Level	200,
assay	98%
refractive index	n20/D 1.4714 (lit.)
bp	91-93 °C (lit.)
density	0.803 g/mL at 25 °C (lit.)
storage temp.	2-8°C
SMILES string	CSCC=C
InChI	1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3
InChI key	NVLPQIPTCCLBEU-UHFFFAOYSA-N

pictograms	GHS02
signalword	Danger
hcodes	H225
pcodes	P210
Personal Protective Equipment	Eyeshields,, Faceshields,, Gloves,, type ABEK (EN14387) respirator filter,
RIDADR	UN 1993BF 3 / PGII
WGK Germany	WGK 3
Flash Point F	64.4 °F - closed cup
Flash Point C	18 °C - closed cup

Подробнее

Allyl oxalyl chloride

Empirical Formula (Hill Notation):	C₅H₅ClO₃
CAS Number:	74503-07-4
Molecular Weight:	148.54
EC Number:	277-900-7
MDL number:	MFCD08274650
PubChem Substance ID:	329765307
NACRES:	NA.22

Quality Level	100,
assay	97%
refractive index	n20/D 1.443
density	1.213 g/mL at 25 °C
SMILES string	ClC(=O)C(=O)OCC=C
InChI	1S/C5H5ClO3/c1-2-3-9-5(8)4(6)7/h2H,1,3H2
InChI key	HNOLIWBAJVIBOU-UHFFFAOYSA-N

pictograms	GHS02,GHS05,GHS07
signalword	Danger
hcodes	H226 - H302 - H314
pcodes	P210 - P280 - P301 + P312 + P330 - P301 + P330 + P331 - P303 + P361 + P353 - P305 + P351 + P338
RIDADR	UN 2920 3(8) / PGII
WGK Germany	WGK 3
Flash Point F	133.0 °F
Flash Point C	56.1 °C