2-Bromo-1-(3-chlorophenyl)ethanone

C8H6BrClOCAS 41011-01-2233.49 g/mol

Open in Covalent MOL file
OBrCl
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H6BrClO
Molar mass
233.49 g/mol
Exact mass
231.9291 Da
Melting point
39.5–40 °C
logP
2.92Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
41011-01-2
SMILES
O=C(CBr)c1cccc(Cl)c1
InChIKey
KJVRURZDIOVSSQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrClO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Ethanone, 2-bromo-1-(3-chlorophenyl)-
  • Acetophenone, 2-bromo-3′-chloro-
  • 2-Bromo-3′-chloroacetophenone
  • 3-Chlorophenacyl bromide
  • m-Chlorophenacyl bromide
  • 2-Bromo-m-chloroacetophenone
  • α-Bromo-3-chloroacetophenone
  • 2-Bromo-1-(3-chlorophenyl)-1-ethanone
  • 2-Bromo-3'-chloroacetophenone

Work with 2-Bromo-1-(3-chlorophenyl)ethanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromophenacyl bromide18523-22-366 % similar 2,3'-Dichloroacetophenone21886-56-666 % similar 3′-Chloropropiophenone34841-35-564 % similar 3-Fluorophenacyl bromide53631-18-864 % similar 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-462 % similar Phenacyl bromide70-11-160 % similar 2-Bromo-1-(3,4-dichlorophenyl)ethanone2632-10-259 % similar 3-(3-Chlorophenyl)-3-oxopropanenitrile21667-62-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromophenylacetyl chloride37859-24-8 1-(4-Bromophenyl)-2-chloroethanone4209-02-3 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-8 2′-Bromo-4-chloroacetophenone536-38-9 1-(2-Bromo-4-chlorophenyl)ethanone825-40-1 1-(2-Bromo-5-chlorophenyl)ethanone935-99-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook