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CAS Number: 94171-11-6
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone

Structure

 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
Name: 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
Synonyms:
General Information
Product Number: 94171116

CAS Registry Number 94171-11-6
Name:
Ethanone, 2-?(4-?chlorophenyl)?-?1-?(2,?4-?dichlorophenyl)?-
2-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
4-Chlorobenzyl 2,4-dichlorophenyl ketone

 

Chemical Formula: C14H9Cl3O
Exact Mass: 297.97
Molecular Weight: 299.58
m/z: 297.97 (100.0%), 299.97 (95.9%), 301.97 (30.8%), 298.98 (15.3%), 300.97 (14.6%), 302.97 (4.7%), 303.96 (3.3%), 299.98 (1.3%), 301.98 (1.0%)

 

InChI:InChI=1S/C14H9Cl3O/c15-10-3-1-9(2-4-10)7-14(18)12-6-5-11(16)8-13(12)17/h1-6,8H,7H2

InChI Key:XQXUWZVNQWBASZ-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2)Cl)Cl)Cl

 

Thermal Properties Value Condition Note
Melting Point 65-66 °C Solv: cyclohexane (110-82-7) (2)CAS
Melting Point 65-66 °C Solv: cyclohexane (110-82-7) (3)CAS

Specification

98%
References
  1. (2) Lange, Josephus H. M.; WO 2003078413 A1 2003 CAPLUS
  2. (3) Lange, Jos H. M.; Journal of Medicinal Chemistry 2005, V48(6), P1823-1838 CAPLUS
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