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CAS Number: 41011-01-2
2-bromo-1-(3-chlorophenyl)ethanone

Structure

 2-bromo-1-(3-chlorophenyl)ethanone
Name: 2-bromo-1-(3-chlorophenyl)ethanone
Synonyms:
General Information
Product Number: 41011012

CAS Registry Number 41011-01-2
Name:
Ethanone, 2-?bromo-?1-?(3-?chlorophenyl)?-
Acetophenone, 2-bromo-3'-chloro- (7CI)
2-Bromo-1-(3-chlorophenyl)-1-ethanone
2-Bromo-1-(3-chlorophenyl)ethanone
2-Bromo-3'-chloroacetophenone
2-Bromo-m-chloroacetophenone

 

Chemical Formula: C8H6BrClO
Exact Mass: 231.93
Molecular Weight: 233.49
m/z: 233.93 (100.0%), 231.93 (77.3%), 235.92 (24.0%), 234.93 (8.7%), 232.93 (6.7%), 236.93 (2.1%)

 

InChI:InChI=1S/C8H6BrClO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2

InChI Key:KJVRURZDIOVSSQ-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC(=C1)Cl)C(=O)CBr

 

Thermal Properties Value Condition Note
Melting Point 122-124 °C   (1)IC
Melting Point 39.5-40 °C   (2)NLM
Melting Point <35 °C Solv: ethanol (64-17-5) (3)CAS

Specification

98%
References
  1. (1) Daoud, Sayed S.; Pharmazie 1988, V43(7), P470-1 CAPLUS
  2. (2) "Hazardous Substances Data Bank" data were obtained from the National Library of Medicine (US)
  3. (3) Laird, R.M.; Journal of the American Chemical Society 1961, V83, P4277-81 CAPLUS
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