Structure

3-Chloro-2-methylbenzonitrile

CAS
54454-12-5
Catalog Number
ACM54454125
Category
Solvents
Molecular Weight
151.59
Molecular Formula
C8H6ClN

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Specification

Synonyms
3-Chloro-2-methylbenzonitrile
Benzonitrile, 3-chloro-2-methyl-
IUPAC Name
3-chloro-2-methylbenzonitrile
Canonical SMILES
CC1=C(C=CC=C1Cl)C#N
InChI
1S/C8H6ClN/c1-6-7(5-10)3-2-4-8(6)9/h2-4H,1H3
InChI Key
FKFZTNLSUJCIMG-UHFFFAOYSA-N
Boiling Point
226.6±20.0 °C at 760 mmHg
Melting Point
34-36°C
Flash Point
87.1±16.8 °C
Density
1.2±0.1 g/cm3
Assay
0.98
Color
Clear, pale yellow
Exact Mass
151.018875
Form
Liquid
Hazard Codes
Xi
LogP
2.81
MDL Number
MFCD00045598
PSA
23.79
Refractive Index
1.553
Vapor Pressure
0.1±0.4 mmHg at 25°C
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