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CAS Number: 62882-02-4
6-chloroisoquinoline

Structure

6-chloroisoquinoline
Name: 6-chloroisoquinoline
Synonyms:
General Information
Product Number: 62882024

CAS Registry Number 62882-02-4
Name:
Isoquinoline, 6-?chloro-
6-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/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H

InChI Key:NCJNOOHAQSFEJN-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=CN=C2)C=C1Cl

 

Thermal Properties Value Condition Note
Boiling Point 38-39 °C   (1)CAS
Melting Point 39-40 °C   (2)CAS

Specification

98%

References
  1. (1) Favini, Giorgio; Gazzetta Chimica Italiana 1959, V89, P2222-31 CAPLUS
  2. (2) Jacobs, Christoph; Journal of Medicinal Chemistry 2000, V43(9), P1841-1851 CAPLUS
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