2-chloroacetonitrile

Names

[ CAS No. ]:
107-14-2

[ Name ]:
2-chloroacetonitrile

[Synonym ]:
2-chloroacetonitrile
EINECS 203-467-0
MFCD00001885

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
126.5±0.0 °C at 760 mmHg

[ Melting Point ]:
38℃

[ Molecular Formula ]:
C₂H₂ClN

[ Molecular Weight ]:
75.497

[ Flash Point ]:
47.8±0.0 °C

[ Exact Mass ]:
74.987579

[ PSA ]:
23.79000

[ LogP ]:
0.14

[ Vapour density ]:
3 (vs air)

[ Vapour Pressure ]:
11.6±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.400

[ Stability ]:
Stable, but reacts with water. Combustible. Incompatible with water, moisture, strong oxidizing agents, acids.

[ Water Solubility ]:
INSOLUBLE

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AL8225000

CHEMICAL NAME :: Acetonitrile, chloro-

CAS REGISTRY NUMBER :: 107-14-2

BEILSTEIN REFERENCE NO. :: 0506028

LAST UPDATED :: 199710

DATA ITEMS CITED :: 19

MOLECULAR FORMULA :: C2-H2-Cl-N

MOLECULAR WEIGHT :: 75.50

WISWESSER LINE NOTATION :: NC1G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 220 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 250 ppm/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 139 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 71 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4800 mg/kg/2W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors

TYPE OF TEST :: Micronucleus test

TYPE OF TEST :: Unscheduled DNA synthesis

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Rodent - hamster Ovary

DOSE/DURATION :: 79100 nmol/L

REFERENCE :: FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 5,1065,1985 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 52,269,1991 IARC Cancer Review:Human No Available Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 52,269,1991 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 52,269,1991

Safety Information

[ Symbol ]:

GHS02, GHS06, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H301 + H311 + H331-H411

[ Precautionary Statements ]:
Missing Phrase - N15.00950417-P210-P280-P302 + P352 + P312-P304 + P340 + P312-P370 + P378

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
T:Toxic

[ Risk Phrases ]:
R23/24/25;R51/53

[ Safety Phrases ]:
S45-S61

[ RIDADR ]:
UN 2668 6.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
AL8225000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-Chloroacetamide
Bromoacetonitrile
(3-Chloro-1-propen-1-yl)benzene
Acetonitrile
Iodoacetonitrile
Glycolonitrile
Dichloroethyne
1,2-Dichlorobenzene
1,2,3,4-tetrachlorobenzene

DownStream

3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
1-(2-amino-5-phenylmethoxyphenyl)-2-chloroethanone
2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetonitrile
Ethanone, 1-(2-amino-3-methylphenyl)-2-chloro- (9CI)
Ethanone, 1-(2-amino-4-methylphenyl)-2-chloro- (9CI)
Ethanone, 1-(2-amino-6-methylphenyl)-2-chloro- (9CI)
2-(cyclohexylamino)acetonitrile
2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylacetonitrile
6-bromo-2-nitrophenylacetonitrile
2-(4-bromo-2-nitrophenyl)acetonitrile

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Genotoxic activity of five haloacetonitriles: comparative investigations in the single cell gel electrophoresis (comet) assay and the ames-fluctuation test.

Environ. Mol. Mutagen. 36(1) , 52-8, (2000)

Halogenated acetonitriles (HANs) are known to be water disinfectant by-products. Their mutagenicity and carcinogenicity have been shown in different test systems in vivo and in vitro. They also have c...

Percutaneous absorption of haloacetonitriles and chloral hydrate and simulated human exposures.

J. Appl. Toxicol. 32(6) , 387-94, (2012)

Disinfection-by-products (DBPs) have long been a human health concern and many are known carcinogens and teratogens. Skin is exposed to DBPs in water through bathing and swimming; however, dermal upta...

Chloroacetonitrile induces intrauterine growth restriction and musculoskeletal toxicity in fetal mouse.

Toxicol. Ind. Health 24(8) , 511-8, (2008)

Chloroacetonitrile (CAN) is a by-product of chlorination of drinking water. Epidemiological studies indicate that it might present a hazard to human health. The present study was designed to investiga...

2-chloroacetonitrile
2-bromo-2-chloroacetonitrile
2,2-dibromo-2-chloroacetonitrile
2-(2-Bromophenyl)-2-chloroacetonitrile
2-(tert-butyldimethylsilyl)-2-chloroacetonitrile
2-(benzo[d][1,3]dioxol-5-yl)-2-chloroacetonitrile
5-Amino-3-bromo-1-(3-cyclopropylpropyl)-1,2-dihydropyridin-2-one
1-(3-cyclopropylpropyl)-5-methyl-1H-pyrazol-4-amine
1-(3,4-dimethylpent-3-en-1-yl)-5-methyl-1H-pyrazol-4-amine
(2S)-2-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3,3-dimethylbutanamido]-4-(methylsulfanyl)butanoic acid
2,2-Difluoro-1-[4-(propan-2-yl)phenyl]cyclopropan-1-amine
3-{[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]methyl}benzoic acid
rac-1-[(1R,3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentanecarbonyl]-4-methoxypyrrolidine-3-carboxylic acid
rac-2-{[(1R,3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentyl]formamido}-2-(thiophen-2-yl)acetic acid
rac-2-{4-[(1R,3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentanecarbonyl]thiomorpholin-3-yl}acetic acid
3-Methyl-3-(3-methyl-4-nitrophenyl)butan-1-amine

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