chempirical

3-Bromobenzaldehyde

C7H5BrOCAS 3132-99-8185.02 g/mol

Open in Covalent MOL file
OBr
AldehydeAryl halide

Properties

Molecular formula
C7H5BrO
Molar mass
185.02 g/mol
Exact mass
183.9524 Da
Density
1.3007 g/mL (at 30 °C)
Melting point
226 °C
Boiling point
234.5 °C
logP
2.26Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3132-99-8
SMILES
O=Cc1cccc(Br)c1
InChIKey
SUISZCALMBHJQX-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H

Weigh it out

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

Names and synonyms

10 names
  • Benzaldehyde, 3-bromo-
  • Benzaldehyde, m-bromo-
  • m-Bromobenzaldehyde
  • 3-Formylbromobenzene
  • NSC 66828
  • 3-Formyl-1-bromobenzene
  • 5-Bromobenzaldehyde
  • m-Formylphenyl bromide
  • 3-Formylphenyl bromide
  • 4-Pyridinecarboxaldehyde, 2-hydrazinyl-

Work with 3-Bromobenzaldehyde

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isophthalaldehyde626-19-765 % similar 5-Bromoisophthalaldehyde120173-41-360 % similar 3,5-Dibromobenzaldehyde56990-02-460 % similar 3-Hydroxybenzaldehyde100-83-457 % similar 3-Bromostyrene2039-86-357 % similar 3-Fluorobenzaldehyde456-48-454 % similar 3-Chlorobenzaldehyde587-04-254 % similar 3-Bromo-5-chlorobenzaldehyde188813-05-053 % similar

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

Same formula

4-Bromobenzaldehyde1122-91-4 Benzoyl bromide618-32-6 2-Bromobenzaldehyde6630-33-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia