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CAS Number: 21423-84-7
2-chloro-4-methylbenzonitrile

Structure

 2-chloro-4-methylbenzonitrile
Name: 2-chloro-4-methylbenzonitrile
Synonyms:
General Information
Product Number: 21423847

CAS Registry Number 21423-84-7
Name:
Benzonitrile, 2-?chloro-?4-?methyl-
p-Tolunitrile, 2-chloro- (6CI,8CI)
2-Chloro-4-methylbenzonitrile
2-Chloro-p-tolunitrile
NSC 263769

 

Chemical Formula: C8H6ClN
Exact Mass: 151.02
Molecular Weight: 151.59
m/z: 151.02 (100.0%), 153.02 (32.0%), 152.02 (9.0%), 154.02 (2.8%)

 

InChI:InChI=1S/C8H6ClN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3

InChI Key:LKWQNMIDLFGETG-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=C(C=C1)C#N)Cl

 

Thermal Properties Value Condition Note
Melting Point 60-62 °C   (1)CAS
Melting Point 51-55 °C   (2)CAS

Specification

98%
References
  1. (1) Goldberg, A. A.; Journal of the Chemical Society 1958, P4227-34 CAPLUS
  2. (2) DeTar, DeLos F.; Journal of the American Chemical Society 1956, V78, P4302-5 CAPLUS
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