3-Bromobenzophenone

C13H9BrOCAS 1016-77-9261.12 g/mol

Open in Covalent MOL file
OBr
Aryl halideKetone

Properties

Molecular formula
C13H9BrO
Molar mass
261.12 g/mol
Exact mass
259.9837 Da
Melting point
81 °C
Boiling point
185–187 °C (at 6 Torr)
logP
3.68Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
1016-77-9
SMILES
O=C(c1ccccc1)c1cccc(Br)c1
InChIKey
XNUMUNIJQMSNNN-UHFFFAOYSA-N
InChI
InChI=1S/C13H9BrO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H

Weigh it out

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

Names and synonyms

6 names
  • Methanone, (3-bromophenyl)phenyl-
  • Benzophenone, 3-bromo-
  • (3-Bromophenyl)phenylmethanone
  • m-Bromobenzophenone
  • 3-Bromobenzoylbenzene
  • 3-Bromophenyl phenyl ketone

Work with 3-Bromobenzophenone

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

1,3-Dibenzoylbenzene3770-82-972 % similar 4-Benzoyl-4'-bromobiphenyl63242-14-863 % similar Benzophenone119-61-963 % similar 1,3,5-Tribenzoylbenzene25871-69-662 % similar 3-Chlorobenzophenone1016-78-060 % similar 1,4-Dibenzoylbenzene3016-97-560 % similar 3-Fluorobenzophenone345-69-760 % similar 3-Methylbenzophenone643-65-260 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromobenzophenone13047-06-8 4-Bromobenzophenone90-90-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook