4-Bromobenzaldehyde

C₇H₅BrOCAS 1122-91-4185.02 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₅BrO
Molar mass: 185.02 g/mol
Exact mass: 183.9524 Da
Density: 1.2926 g/mL (at 30 °C)
Melting point: 67 °C
Boiling point: 105–110 °C (at 12 Torr)
logP: 2.26Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed73.1% of notifiers
H315 Causes skin irritation98.7% of notifiers
H319 Causes serious eye irritation98.7% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled48.7% of notifiers
H335 May cause respiratory irritation94.9% of notifiers

Aggregated from 78 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

1122-91-4

SMILES

O=Cc1ccc(Br)cc1

InChIKey

ZRYZBQLXDKPBDU-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H

Weigh it out

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

Names and synonyms

10 names

4-Formylphenyl bromide
4-Formyl-1-bromobenzene
p-Formylbromobenzene
Benzaldehyde, 4-bromo-
Benzaldehyde, p-bromo-
p-Bromobenzaldehyde
4-Formylbromobenzene
1-Bromo-4-formylbenzene
NSC 21638
4-Bromobenzenealdehyde

Reactions

p-BROMOBENZALDEHYDE (Benzaldehyde, p-bromo-)product

Work with 4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Benzenedicarboxaldehyde623-27-867 % similar 5-Bromoisophthalaldehyde120173-41-364 % similar 3,5-Dibromobenzaldehyde56990-02-464 % similar 4-[(4-Bromophenyl)methoxy]benzaldehyde149833-95-460 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-857 % similar 4-Hydroxybenzaldehyde123-08-057 % similar 5-Bromo-3-pyridinecarboxaldehyde113118-81-352 % similar Benzaldehyde100-52-750 % similar

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

Same formula

3-Bromobenzaldehyde3132-99-8 Benzoyl bromide618-32-6 2-Bromobenzaldehyde6630-33-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook