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CAS Number: 19493-45-9
3-chloroisoquinoline

Structure

3-chloroisoquinoline
Name: 3-chloroisoquinoline
Synonyms:
General Information
Product Number: 19493459

CAS Registry Number 19493-45-9
Name:
Isoquinoline, 3-​chloro-
3-Chloroisoquinoline

 

Chemical Formula: C9H6ClN
Exact Mass: 163.02
Molecular Weight: 163.60
m/z: 163.02 (100.0%), 165.02 (32.0%), 164.02 (10.1%), 166.02 (3.1%)

 

InChI:InChI=1S/C9H6ClN/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H

InChI Key:CPCMFADZMOYDSZ-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C=NC(=CC2=C1)Cl

 

Thermal Properties Value Condition Note
Melting Point 45-46 °C   (3)CAS

Specification

98%

References
  1. (3) Favini, Giorgio; Gazzetta Chimica Italiana 1959, V89, P2222-31 CAPLUS
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