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CAS Number: 27463-38-3
5-(4-chlorophenyl)cyclohexane-1,3-dione

Structure

5-(4-chlorophenyl)cyclohexane-1,3-dione
Name: 5-(4-chlorophenyl)cyclohexane-1,3-dione
Synonyms:
General Information
Product Number: 27463383

CAS Registry Number 27463-38-3
Name:
1,​3-​Cyclohexanedione, 5-​(4-​chlorophenyl)​-
1,3-Cyclohexanedione, 5-(p-chlorophenyl)- (8CI)
5-(4-Chlorophenyl)-1,3-cyclohexanedione
5-(p-Chlorophenyl)-1,3-cyclohexanedione

 

Chemical Formula: C12H11ClO2
Exact Mass: 222.04
Molecular Weight: 222.67
m/z: 222.04 (100.0%), 224.04 (32.0%), 223.05 (13.2%), 225.05 (4.3%), 224.05 (1.2%)

 

InChI:InChI=1S/C12H11ClO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2

InChI Key:MAFYKXZPGMHTIA-UHFFFAOYSA-N

Canonical SMILES:C1C(CC(=O)CC1=O)C2=CC=C(C=C2)Cl

 

Thermal Properties Value Condition Note
Melting Point 197-199 °C   (1)CAS

Specification

98%

References
  1. (1) Schoen, Karl; US 3503990 A 1970 CAPLUS
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