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CAS Number: 67832-11-5
4-bromo-2-methylbenzonitrile

Structure

4-bromo-2-methylbenzonitrile
Name: 4-bromo-2-methylbenzonitrile
Synonyms:
General Information
Product Number: 67832115

CAS Registry Number 67832-11-5
Name:
Benzonitrile, 4-​bromo-​2-​methyl-
o-Tolunitrile, 4-bromo- (7CI)
1-Bromo-3-methyl-4-cyanobenzene
2-Methyl-4-bromobenzonitrile
4-Bromo-2-methylbenzonitrile
NSC 229305

 

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

InChI Key:LPEBMDFRIKYFCF-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 88-91 °C Solv: toluene (108-88-3); ligroine (8032-32-4) (1)CAS
Melting Point 62-63 °C   (2)CAS
Melting Point 55 °C   (3)CAS

Specification

98%

References
  1. (1) Runyon, Scott P.; Journal of Medicinal Chemistry 2008, V51(21), P6808-6828 CAPLUS
  2. (2) Galun, Arjeh B.; Journal of Organic Chemistry 1962, V27, P1426-30 CAPLUS
  3. (3) Asahina, Y.; Yakugaku Zasshi 1917, (No. 429), P967 CAPLUS
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