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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

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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
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
Chloroacetonitrile.
IARC monographs on the evaluation of carcinogenic risks to humans, 71 Pt 3, 1325-1329 (1999-09-07)
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