1-(3,5-Dibromophenyl)ethanone

C8H6Br2OCAS 14401-73-1277.94 g/mol

Open in Covalent MOL file
OBrBr
Aryl halideKetone

Properties

Molecular formula
C8H6Br2O
Molar mass
277.94 g/mol
Exact mass
275.8785 Da
Melting point
66 °C
Boiling point
160–164 °C (at NaN Torr)
logP
3.41Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
14401-73-1
SMILES
CC(=O)c1cc(Br)cc(Br)c1
InChIKey
NHFJDRRYVMJBRJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Br2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3

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Names and synonyms

4 names
  • Ethanone, 1-(3,5-dibromophenyl)-
  • Acetophenone, 3′,5′-dibromo-
  • 3,5-Dibromoacetophenone
  • 3′,5′-Dibromoacetophenone

Work with 1-(3,5-Dibromophenyl)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

1,1′,1′′-(1,3,5-Benzenetriyl)tris[ethanone]779-90-867 % similar P-Bromoacetophenone99-90-164 % similar 3′-Bromoacetophenone2142-63-463 % similar 3-Acetyl-5-bromopyridine38940-62-461 % similar 1-(4′-Bromo[1,1′-biphenyl]-4-yl)ethanone5731-01-157 % similar 3′,5′-Dibromo-4′-hydroxyacetophenone2887-72-155 % similar 1-(3,5-Dimethylphenyl)ethan-1-one5379-16-854 % similar 1,4-Diacetylbenzene1009-61-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromophenacyl bromide18523-22-3 4-Bromophenacyl bromide99-73-0

Elsewhere

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