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CAS Number: 53312-79-1
3-amino-4-chlorobenzonitrile

Structure

 3-amino-4-chlorobenzonitrile
Name: 3-amino-4-chlorobenzonitrile
Synonyms:
General Information
Product Number: 53312791

CAS Registry Number 53312-79-1
Name:
Benzonitrile, 3-?amino-?4-?chloro-
3-Amino-4-chlorobenzonitrile
2-Chloro-5-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/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,10H2

InChI Key:KRBRYJLBILJHAS-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 93-94 °C   (2)CAS
Melting Point 92 °C   (3)CAS
Melting Point 86-89 °C   (1)CAS

Specification

98%
References
  1. (1) Chandrappa, S.; Synlett 2010, (20), P3019-3022 CAPLUS
  2. (2) Berg, Samuel Sidney; GB 888965 1958 CAPLUS
  3. (3) Blanksma, J. J.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1947, V66, P365-73 CAPLUS
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