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CAS Number: 52780-15-1
3-bromo-2-methylbenzonitrile

Structure

 3-bromo-2-methylbenzonitrile
Name: 3-bromo-2-methylbenzonitrile
Synonyms:
General Information
Product Number: 52780151

CAS Registry Number 52780-15-1
Name:
Benzonitrile, 3-?bromo-?2-?methyl-
o-Tolunitrile, 3-bromo- (6CI)
3-Bromo-2-methylbenzonitrile

 

Chemical Formula: C8H6BrN
Exact Mass: 194.97
Molecular Weight: 196.04
m/z: 194.97 (100.0%), 196.97 (97.3%), 195.97 (9.1%), 197.97 (8.5%)

 

InChI:InChI=1S/C8H6BrN/c1-6-7(5-10)3-2-4-8(6)9/h2-4H,1H3

InChI Key:VJMRAGHVKBZNAF-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C=CC=C1Br)C#N

 

Thermal Properties Value Condition Note
Melting Point 44-45 °C   (1)CAS

Specification

98%
References
  1. (1) Lindsay, W. S.; Journal of the American Chemical Society 1961, V83, P943-9 CAPLUS
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