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CAS Number: 65619-30-9
1-(3,4-dichlorophenyl)-4-oxocyclohexanecarbonitrile

Structure

 1-(3,4-dichlorophenyl)-4-oxocyclohexanecarbonitrile
Name: 1-(3,4-dichlorophenyl)-4-oxocyclohexanecarbonitrile
Synonyms:
General Information
Product Number: 65619309

CAS Registry Number 65619-30-9
Name:
Cyclohexanecarbonitr?ile, 1-?(3,?4-?dichlorophenyl)?-?4-?oxo-
1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile
4-Cyano-4-(3,4-dichlorophenyl)cyclohexanone

 

Chemical Formula: C13H11Cl2NO
Exact Mass: 267.02
Molecular Weight: 268.14
m/z: 267.02 (100.0%), 269.02 (64.0%), 268.03 (14.2%), 271.02 (10.4%), 270.02 (9.2%), 272.02 (1.5%), 269.03 (1.1%)

 

InChI:InChI=1S/C13H11Cl2NO/c14-11-2-1-9(7-12(11)15)13(8-16)5-3-10(17)4-6-13/h1-2,7H,3-6H2

InChI Key:YDVFTCZQEZJUIH-UHFFFAOYSA-N

Canonical SMILES:C1CC(CCC1=O)(C#N)C2=CC(=C(C=C2)Cl)Cl

 

Thermal Properties Value Condition Note
Melting Point 156-157.5 °C Solv: dichloromethane (75-09-2) (1)IC

Specification

98%
References
  1. (1) Lednicer, Daniel; Journal of Medicinal Chemistry 1980, V23(4), P424-30 CAPLUS
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