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CAS Number: 35747-58-1
5-amino-2-chlorobenzonitrile

Structure

 5-amino-2-chlorobenzonitrile
Name: 5-amino-2-chlorobenzonitrile
Synonyms:
General Information
Product Number: 35747581

CAS Registry Number 35747-58-1
Name:
Benzonitrile, 5-?amino-?2-?chloro-
5-Amino-2-chlorobenzonitrile
2-Chloro-5-aminobenzonitrile
3-Cyano-4-chloroaniline
4-Chloro-3-cyanoaniline

 

Chemical Formula: C7H5ClN2
Exact Mass: 152.01
Molecular Weight: 152.58
m/z: 152.01 (100.0%), 154.01 (32.0%), 153.02 (7.6%), 155.01 (2.7%)

 

InChI:InChI=1S/C7H5ClN2/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,10H2

InChI Key:VVDIMAMYKUTSCL-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1N)C#N)Cl

 

Thermal Properties Value Condition Note
Melting Point 133 °C   (2)CAS
Melting Point 130-131.5 °C Solv: water (7732-18-5); ethanol (64-17-5) (3)IC

Specification

98%
References
  1. (2) Dey, Biman Bihari; Journal of the Indian Chemical Society 1933, V10, P309-20 CAPLUS
  2. (3) Markley, Lowell D.; Journal of Medicinal Chemistry 1986, V29(3), P427-33 CAPLUS
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