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CAS Number: 124289-21-0
3-bromo-5-methylbenzonitrile

Structure

 3-bromo-5-methylbenzonitrile
Name: 3-bromo-5-methylbenzonitrile
Synonyms:
General Information
Product Number: 124289210

CAS Registry Number 124289-21-0
Name:
Benzonitrile, 3-?bromo-?5-?methyl-
3-Bromo-5-methylbenzonitrile
3-Cyano-5-methyl-1-bromo-benzene

 

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/c1-6-2-7(5-10)4-8(9)3-6/h2-4H,1H3

InChI Key:JRGGBJGKQMUYOK-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 57-58.5 °C   (3)IC
Melting Point See full text   (1)CAS

Specification

98%
References
  1. (1) Guo, Ning; Applied Radiation and Isotopes 2008, V66(10), P1396-1402 CAPLUS
  2. (3) Fisher, Thomas H.; Journal of Organic Chemistry 1990, V55(3), P1040-3 CAPLUS
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