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CAS Number: 3336-43-4
1-chloroisoquinolin-4-ol

Structure

1-chloroisoquinolin-4-ol
Name: 1-chloroisoquinolin-4-ol
Synonyms:
General Information
Product Number: 3336434

CAS Registry Number 3336-43-4
Name:
4-​Isoquinolinol, 1-​chloro-
1-Chloro-4-hydroxyisoquinoline
1-Chloroisoquinolin-4-ol

 

Chemical Formula: C9H6ClNO
Exact Mass: 179.01
Molecular Weight: 179.60
m/z: 179.01 (100.0%), 181.01 (32.0%), 180.02 (9.8%), 182.01 (3.2%)

 

InChI:InChI=1S/C9H6ClNO/c10-9-7-4-2-1-3-6(7)8(12)5-11-9/h1-5,12H

InChI Key:JEVLGPVFFYUBRI-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=CN=C2Cl)O

 

Thermal Properties Value Condition Note
Melting Point 220-226 °C   (1)CAS
Melting Point 220-226 °C (decomp) Solv: acetic acid (64-19-7) (2)CAS
Melting Point 193.5-194 °C (decomp)   (3)CAS
Melting Point 192.5-194 °C (decomp)   (3)CAS

Specification

98%

References
  1. (1) Pesson, Marcel; Compt. Rend. 1965, V261(5(Groupe 8)), P1339-42 CAPLUS
  2. (2) Pesson, Marcel; FR M3591 1965 CAPLUS
  3. (3) Robison, Michael M.; Journal of the American Chemical Society 1958, V80, P3443-9 CAPLUS
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