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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/REAXYS Number:
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[1].

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Description
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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_germany

WGK 3

flash_point_f

118.4 °F

flash_point_c

48.0 °C

ppe

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

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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
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.
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
Ashraf B Abdel-Naim et al.
Toxicology letters, 146(3), 249-257 (2003-12-23)
Chloroacetonitrile (CAN) is a disinfection by-product of chlorination of drinking water. Epidemiological studies indicate that it might present a potential hazard to human health. The present work provides an evidence for CAN activation to cyanide (CN-) by myeloperoxidase (MPO)/hydrogen peroxide
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