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CAS Number: 50397-74-5
4-amino-3-bromobenzonitrile

Structure

4-amino-3-bromobenzonitrile
Name: 4-amino-3-bromobenzonitrile
Synonyms:
General Information
Product Number: 50397745

CAS Registry Number 50397-74-5
Name:
Benzonitrile, 4-?amino-?3-?bromo-
4-Amino-3-bromobenzonitrile
2-Bromo-4-cyanoaniline
3-Bromo-4-aminobenzonitrile

 

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/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,10H2

InChI Key:POESQIHWIIWNJL-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1C#N)Br)N

 

Thermal Properties Value Condition Note
Melting Point 109-111 °C Solv: water (7732-18-5) (5)CAS
Melting Point 106-111 °C   (6)CAS

Specification

98%

References
  1. (5) Crundwell, E.; Journal of the Chemical Society 1956, P368-71 CAPLUS
  2. (6) Alinezhad, Heshmatollah; Synthetic Communications 2010, V40(21), P3226-3232 CAPLUS
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