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22830

Sigma-Aldrich

Chloroacetonitrile

purum, ≥99.0% (GC)

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About This Item

Linear Formula:
ClCH2CN
CAS Number:
107-14-2
Molecular Weight:
75.50
Beilstein:
506028
EC Number:
203-467-0
MDL number:
MFCD00001885
UNSPSC Code:
12352100
PubChem Substance ID:
329752349

vapor density

3 (vs air)

vapor pressure

1.78 psi ( 20 °C)

grade

purum

Assay

≥99.0% (GC)

refractive index

n20/D 1.422 (lit.)
n20/D 1.423

bp

124-126 °C (lit.)

solubility

water: insoluble

density

1.193 g/mL at 25 °C (lit.)

SMILES string

ClCC#N

InChI

1S/C2H2ClN/c3-1-2-4/h1H2

InChI key

RENMDAKOXSCIGH-UHFFFAOYSA-N

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General description

The radical and carbene derivatives of chloroacetonitrile has been studied.

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Signal Word

Danger

Hazard Classifications

Acute Tox. 2 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

118.4 °F

Flash Point(C)

48.0 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Shaheen M Ashraf et al.
Chemistry & biodiversity, 5(10), 2060-2066 (2008-10-31)
The hydration of nitriles to the corresponding amides is an important reaction for both laboratory and industry purposes. The classical synthesis method requires harsh conditions, gives low yields, and is nonselective due to further hydrolysis of the amides into carboxylic
M S Logan et al.
Biochemical and biophysical research communications, 197(2), 853-858 (1993-12-15)
Distinct dichloromethane dehalogenases from Methylobacterium sp. strain DM4 and Methylophilus DM11 were inhibited by low concentrations of haloacetonitriles. Chloroacetonitrile (ClCH2CN) showed maximal inhibition at a stoichiometry of 1 mol inhibitor:1 mol holoenzyme for both enzymes. This stoichiometry is suggestive of
Osama Mohamed Abo-Salem et al.
Pakistan journal of pharmaceutical sciences, 26(1), 145-152 (2012-12-25)
Chloroacetonitrile is a disinfectant by-product of chlorination of drinking water and is considered as a direct-acting mutagenic and carcinogenic agent. Time-course and dose-response studies were performed to examine the mechanism of chloroacetonitrile-induced hepatotoxicity. In the time-course study, animals were scarified
Andrew R Dixon et al.
The journal of physical chemistry. A, 118(37), 8533-8541 (2014-04-20)
This work represents the next step in the studies of heterogeneous substitution effects in cyanohalo radicals and carbenes. Negative-ion photoelectron imaging was used to investigate the substituted radical and carbene derivatives of fluoroacetonitrile. We report a closed-shell singlet ground state
A E Ahmed et al.
Toxicology and industrial health, 24(8), 511-518 (2008-11-29)
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 investigate the potential adverse effects of intrauterine exposure to CAN on fetal
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