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Sigma-Aldrich

2-Chlorohydrocinnamonitrile

99%

Synonym(s):

3-(2-Chlorophenyl)propionitrile

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About This Item

Linear Formula:
ClC6H4CH2CH2CN
CAS Number:
Molecular Weight:
165.62
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

99%

refractive index

n20/D 1.539 (lit.)

bp

83 °C/0.15 mmHg (lit.)

density

1.139 g/mL at 25 °C (lit.)

SMILES string

Clc1ccccc1CCC#N

InChI

1S/C9H8ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,3,5H2

InChI key

MMTXIUJWFHJGBA-UHFFFAOYSA-N

General description

2-Chlorohydrocinnamonitrile is the thermal degradation product of 2-chlorobenzylidenemalononitrile (CS riot control agent).

Application

2-Chlorohydrocinnamonitrile was used as analytical standard for the GC-MS detection of 2-chlorobenzylidenemalononitrile (CS riot control agent).

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Timothy A Kluchinsky et al.
Journal of chromatography. A, 952(1-2), 205-213 (2002-06-18)
2-Chlorobenzylidenemalononitrile (CS riot control agent) has been shown to produce a number of thermal degradation products when dispersed at high temperature. We hypothesized that these CS-derived compounds are formed by energy input from heating during the dispersion process. Here we

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