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CAS Number: 34784-07-1
8-chloroisoquinoline

Structure

 8-chloroisoquinoline
Name: 8-chloroisoquinoline
Synonyms:
General Information
Product Number: 34784071

CAS Registry Number 34784-07-1
Name:
Isoquinoline, 8-?chloro-
8-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/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-6H

InChI Key:OXAMVYYZTULFIB-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=NC=C2)C(=C1)Cl

 

Thermal Properties Value Condition Note
Melting Point 55.5-56.5 °C   (4)CAS
Melting Point 55-56 °C Solv: ligroine (8032-32-4) (5)CAS
Melting Point 55 °C   (6)CAS
Melting Point 53-54 °C Solv: hexane (110-54-3) (3)CAS

Specification

98%
References
  1. (3) Graulich, Amaury; Journal of Medicinal Chemistry 2005, V48(15), P4972-4982 CAPLUS
  2. (4) Keilin, Bertram; Journal of the American Chemical Society 1942, V64, P2442-4 CAPLUS
  3. (5) Favini, Giorgio; Gazzetta Chimica Italiana 1959, V89, P2222-31 CAPLUS
  4. (6) Ochiai, Eiji; Yakugaku Zasshi 1953, V73, P666-9 CAPLUS
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