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CAS Number: 58083-59-3
6-chloroisoindolin-1-one

Structure

6-chloroisoindolin-1-one
Name: 6-chloroisoindolin-1-one
Synonyms:
General Information
Product Number: 58083593

CAS Registry Number 58083-59-3
Name:
1H-​Isoindol-​1-​one, 6-​chloro-​2,​3-​dihydro-
6-Chloro-1-isoindolinone
6-Chloro-2,3-dihydroisoindol-1-one

 

Chemical Formula: C8H6ClNO
Exact Mass: 167.01
Molecular Weight: 167.59
m/z: 167.01 (100.0%), 169.01 (32.0%), 168.02 (8.8%), 170.01 (2.9%)

 

InChI:InChI=1S/C8H6ClNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)

InChI Key:VCEOKEOSVQLRNW-UHFFFAOYSA-N

Canonical SMILES:C1C2=C(C=C(C=C2)Cl)C(=O)N1

 

Thermal Properties Value Condition Note
Melting Point 255-257.5 °C Solv: isopropanol (67-63-0) (2)IC

Specification

98%

References
  1. (2) Anderson, Paul S.; Journal of Organic Chemistry 1979, V44(9), P1519-33 CAPLUS
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