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CAS Number: 77532-78-6
2-bromo-6-methylbenzonitrile

Structure

2-bromo-6-methylbenzonitrile
Name: 2-bromo-6-methylbenzonitrile
Synonyms:
General Information
Product Number: 77532786

CAS Registry Number 77532-78-6
Name:
Benzonitrile, 2-​bromo-​6-​methyl-
2-Bromo-6-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/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3

InChI Key:AEQBTIZIDSFIGT-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 99 °C   (2)CAS
Melting Point 91 °C   (1)CAS

Specification

98%

References
  1. (1) Noel, Timothy; European Journal of Organic Chemistry 2010, (21), P4056-4061, S4056/1-S4056/32 CAPLUS
  2. (2) Burton, Harold; Journal of the Chemical Society 1926, P1802-4 CAPLUS
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