chempirical

2-Bromobenzaldehyde

C7H5BrOCAS 6630-33-7185.02 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
1.305 g/mL (at 30 °C)
Melting point
21.5 °C
Boiling point
230 °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 102 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
6630-33-7
SMILES
O=Cc1ccccc1Br
InChIKey
NDOPHXWIAZIXPR-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrO/c8-7-4-2-1-3-6(7)5-9/h1-5H

Weigh it out

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

Names and synonyms

7 names
  • Benzaldehyde, 2-bromo-
  • Benzaldehyde, o-bromo-
  • o-Bromobenzaldehyde
  • 1-Bromo-2-formylbenzene
  • 2-Bromobenzenecarboxaldehyde
  • NSC 60390
  • o-Formylphenyl bromide

Work with 2-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

Phthalaldehyde643-79-865 % similar 3-Bromo-2-hydroxybenzaldehyde1829-34-159 % similar 3-Bromo-2-methylbenzaldehyde83647-40-959 % similar 2-Bromobenzene-1,3-dialdehyde79839-49-958 % similar (1,1'-Biphenyl)-2,2'-dicarboxaldehyde1210-05-557 % similar 2,5-Dibromo-1,4-benzenedicarboxaldehyde63525-48-457 % similar 2,5-Dibromobenzaldehyde74553-29-056 % similar 2,6-Dibromobenzaldehyde67713-23-954 % similar

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

Same formula

4-Bromobenzaldehyde1122-91-4 3-Bromobenzaldehyde3132-99-8 Benzoyl bromide618-32-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook