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Merck
CN

22830

氯乙腈

purum, ≥99.0% (GC)

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线性分子式:
ClCH2CN
化学文摘社编号:
分子量:
75.50
EC Number:
203-467-0
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
506028
MDL number:
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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

存储类别

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

法规信息

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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, 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

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