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Merck
CN

22830

Chloroacetonitrile

purum, ≥99.0% (GC)

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About This Item

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

Key Documents

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InChI key

RENMDAKOXSCIGH-UHFFFAOYSA-N

InChI

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

SMILES string

ClCC#N

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.)

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General description

The radical and carbene derivatives of chloroacetonitrile has been studied.

signalword

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

3 - Flammable liquids

wgk

WGK 3

flash_point_f

118.4 °F

flash_point_c

48.0 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Chloroacetonitrile.
IARC monographs on the evaluation of carcinogenic risks to humans, 71 Pt 3, 1325-1329 (1999-09-07)
S Jacob et al.
Toxicology and industrial health, 14(4), 533-546 (1998-07-17)
Chloroacetonitrile (CAN), a drinking water disinfectant by-product, has mutagenic and carcinogenic properties. CAN is known to deplete glutathione (GSH), and previous studies reported an enhanced molecular interaction of CAN after GSH depletion in the uterine and fetal tissues of mice.
A E Ahmed et al.
Toxicology, 67(3), 279-302 (1991-05-01)
Chloroacetonitrile (CAN), a drinking water disinfectant by-product, possesses mutagenic and carcinogenic properties. The objective of this study was to investigate the biologic fate of CAN, using whole body autoradiographic (WBA) techniques. Male Sprague-Dawley rats were treated with a tracer dose
Ahmed E Ahmed et al.
Brain research. Developmental brain research, 159(1), 1-11 (2005-08-02)
Epidemiological studies indicate a relationship between water disinfectant by-products (DBP) and adverse pregnancy outcomes (APO) including neural tube defects. These studies suggest that fetal brain may be vulnerable to DBP during early stages of development. Therefore, we examined several molecular
Juan E Argüello et al.
Journal of the American Chemical Society, 127(14), 5049-5055 (2005-04-07)
Cobalt(I) cobalamin and cobinamide are efficient catalysts of the hydrogenolysis of aliphatic chloro compounds. Taking chloroacetonitrile as example, the first requirement for high catalytic efficiency is fulfilled by the high reactivity of the Co(I) complex toward the substrate, leading to
View All Related Papers

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