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CAS Number: 56241-09-9
4-chloroisoquinolin-1(2H)-one

Structure

 4-chloroisoquinolin-1(2H)-one
Name: 4-chloroisoquinolin-1(2H)-one
Synonyms:
General Information
Product Number: 56241099

CAS Registry Number 56241-09-9
Name:
1(2H)?-?Isoquinolinone, 4-?chloro-
Isocarbostyril, 4-chloro- (6CI)
4-Chloro-1(2H)-isoquinolinone
4-Chloro-1-hydroxyisoquinoline
4-Chloroisocarbostyril

 

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/c10-8-5-11-9(12)7-4-2-1-3-6(7)8/h1-5H,(H,11,12)

InChI Key:MVWIXKFNHOXLBU-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=CNC2=O)Cl

 

Thermal Properties Value Condition Note
Melting Point 235.5-237.6 °C (decomp) Solv: benzene (71-43-2); acetic acid (64-19-7); water (7732-18-5) (6)CAS

Specification

98%
References

(6) Robison, Michael M.; Journal of Organic Chemistry 1958, V23, P1071-2 CAPLUS
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