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CAS Number: 114344-60-4
2-amino-3-bromobenzonitrile

Structure

 2-amino-3-bromobenzonitrile
Name: 2-amino-3-bromobenzonitrile
Synonyms:
General Information
Product Number: 114344604

CAS Registry Number 114344-60-4
Name:
Benzonitrile, 2-?amino-?3-?bromo-
2-Amino-3-bromobenzonitrile
3-Bromoanthranilonitrile

 

Chemical Formula: C7H5BrN2
Exact Mass: 195.96
Molecular Weight: 197.03
m/z: 195.96 (100.0%), 197.96 (97.3%), 198.96 (8.1%), 196.97 (7.6%)

 

InChI:InChI=1S/C7H5BrN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2

InChI Key:RTIWACSVMFUEBF-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 119-120 °C   (2)IC
Melting Point 92-94 °C   (1)CAS

Specification

98%
References
  1. (1) Hernandez, Armando R.; Organic Letters 2011, V13(4), P676-679 CAPLUS
  2. (2) Campbell, James B., Jr.; Synthetic Communications 1989, V19(13-14), P2255-63 CAPLUS
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