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CAS Number: 156001-51-3
5-bromo-2-methylbenzonitrile

Structure

5-bromo-2-methylbenzonitrile
Name: 5-bromo-2-methylbenzonitrile
Synonyms:
General Information
Product Number: 156001513
CAS Registry Number: 156001-51-3
Name:
        Benzonitrile, 5-​bromo-​2-​methyl-
        3-​Bromo-​6-​methylbenzonitrile; 5-​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%)
Elemental Analysis: C, 49.01; H, 3.08; Br, 40.76; N, 7.14
 
InChI: InChI=1S/C8H6BrN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
InChIKey: WNVUTFDOGUGEIS-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=C(C=C1)Br)C#N
 
Thermal Properties Value Condition Note
Melting Point 50 °C   (2)CAS

Specification

98%

References

  • (1) Chang, Yuan Jay; Journal of Materials Chemistry 2011, V21(26), P9523-9531 CAPLUS
  • (2) Borsche, Walther; Justus Liebigs Annalen der Chemie 1941, V546, P277-92 CAPLUS
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