chempirical

4-Bromophenacyl bromide

C8H6Br2OCAS 99-73-0277.94 g/mol

Open in Covalent MOL file
OBrBr
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H6Br2O
Molar mass
277.94 g/mol
Exact mass
275.8785 Da
Melting point
111 °C
Boiling point
53–55 °C (at 30 Torr)
logP
3.03Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
99-73-0
SMILES
O=C(CBr)c1ccc(Br)cc1
InChIKey
FKJSFKCZZIXQIP-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

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Names and synonyms

22 names · show all
  • Ethanone, 2-bromo-1-(4-bromophenyl)-
  • Acetophenone, 2,4′-dibromo-
  • 2-Bromo-1-(4-bromophenyl)ethanone
  • p-Bromophenacyl bromide
  • p,α-Dibromoacetophenone
  • 2,4′-Dibromoacetophenone
  • α,p-Dibromoacetophenone
  • 2-Bromo-4′-bromoacetophenone
  • Bromomethyl p-bromophenyl ketone
  • ω,4-Dibromoacetophenone
  • Bromomethyl 4-bromophenyl ketone
  • 4,α-Dibromoacetophenone
  • 2-Bromo-1-(4-bromophenyl)-1-ethanone
  • α-Bromo-4-bromoacetophenone
  • α,4-Dibromoacetophenone
  • α-Bromo-p-bromoacetophenone
  • 4-Bromo(bromoacetyl)benzene
  • NSC 6224
  • α,4′-Dibromoacetophenone
  • 2-(4-Bromophenyl)-2-oxoethyl bromide
  • GSK-3β Inhibitor VII
  • GSK 3 inhibitor VII

Reactions

Work with 4-Bromophenacyl bromide

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

1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-769 % similar 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-568 % similar 4′-Bromopropiophenone10342-83-362 % similar 4-Fluorophenacyl bromide403-29-262 % similar 1-(4-Bromophenyl)-2-chloroethanone4209-02-362 % similar 2′-Bromo-4-chloroacetophenone536-38-962 % similar 4-Methylphenacyl bromide619-41-062 % similar 1-[1,1′-Biphenyl]-4-yl-2-bromoethanone135-73-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-(3,5-Dibromophenyl)ethanone14401-73-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook