chempirical

2-Bromo-1-(4-fluorophenyl)ethan-1-one

C8H6BrFOCAS 403-29-2217.04 g/mol

Open in Covalent MOL file
OBrF
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H6BrFO
Molar mass
217.04 g/mol
Exact mass
215.9586 Da
Melting point
48–49 °C
Boiling point
150–155 °C (at 12 Torr)
logP
2.40Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 48 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
403-29-2
SMILES
O=C(CBr)c1ccc(F)cc1
InChIKey
ZJFWCELATJMDNO-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

Weigh it out

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Names and synonyms

17 names · show all
  • 4-Fluorophenacyl bromide
  • Ethanone, 2-bromo-1-(4-fluorophenyl)-
  • Acetophenone, 2-bromo-4′-fluoro-
  • 2-Bromo-1-(4-fluorophenyl)ethanone
  • α-Bromo-4′-fluoroacetophenone
  • 2-Bromo-4′-fluoroacetophenone
  • p-Fluorophenacyl bromide
  • 2-Bromo-p-fluoroacetophenone
  • 4′-Fluoro-α-bromoacetophenone
  • α-Bromo-p-fluoroacetophenone
  • Bromomethyl 4-fluorophenyl ketoxime
  • α-Bromo-4-fluoroacetophenone
  • p-Fluoro-α-bromoacetophenone
  • 2-Bromo-1-(4-fluorophenyl)-1-ethanone
  • 1-(4-Fluorophenyl)-2-bromoethanone
  • NSC 88343
  • 4′-Fluoro-2-bromoacetophenone

Work with 2-Bromo-1-(4-fluorophenyl)ethan-1-one

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]4072-67-767 % similar 4-Bromophenacyl bromide99-73-062 % similar Phenacyl bromide70-11-161 % similar 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-560 % similar 2-Amino-4'-fluoroacetophenone369-43-760 % similar 1-(4-Fluorophenyl)-2-hydroxyethanone403-31-660 % similar 1-(4-Fluorophenyl)-1-propanone456-03-160 % similar 2-Chloro-4′-fluoroacetophenone456-04-260 % similar

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

Same formula

1-(2-Bromo-5-fluorophenyl)ethanone1006-33-3 1-(2-Bromo-4-fluorophenyl)ethanone1006-39-9 1-(3-Bromo-4-fluorophenyl)ethanone1007-15-4 2-Bromo-6-fluoro-3-methylbenzaldehyde154650-16-5 1-(3-Bromo-2-fluorophenyl)ethanone161957-61-5 1-(5-Bromo-2-fluorophenyl)ethanone198477-89-3 1-(4-Bromo-3-fluorophenyl)ethan-1-one304445-49-6 3-Fluorophenacyl bromide53631-18-8

Elsewhere

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