chempirical

4,4′-Dibromobenzil

C14H8Br2O2CAS 35578-47-3368.02 g/mol

Open in Covalent MOL file
OOBrBr
Aryl halideKetone

Properties

Molecular formula
C14H8Br2O2
Molar mass
368.02 g/mol
Exact mass
365.8891 Da
Melting point
228–229 °C
logP
4.28Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
35578-47-3
SMILES
O=C(C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIKey
NYCBYBDDECLFPE-UHFFFAOYSA-N
InChI
InChI=1S/C14H8Br2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H

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

Names and synonyms

8 names
  • 1,2-Ethanedione, 1,2-bis(4-bromophenyl)-
  • Ethanedione, bis(4-bromophenyl)-
  • Benzil, 4,4′-dibromo-
  • 1,2-Bis(4-bromophenyl)-1,2-ethanedione
  • p,p′-Dibromobenzil
  • NSC 74075
  • Bis(4-bromophenyl)ethanedione
  • 1,2-Bis(4-bromophenyl)ethandione

Work with 4,4′-Dibromobenzil

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

4,4′-Dibromobenzophenone3988-03-264 % similar 4-Bromobenzamide698-67-958 % similar 4-Bromobenzoyl chloride586-75-456 % similar 4-Bromobenzoic acid586-76-556 % similar 4-Bromobenzophenone90-90-454 % similar 4-Bromophenacyl bromide99-73-052 % similar 4′-Bromopropiophenone10342-83-350 % similar 1,4-Dibromobenzene106-37-650 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook