2,5-Dibromobenzaldehyde

C₇H₄Br₂OCAS 74553-29-0263.92 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₄Br₂O
Molar mass: 263.92 g/mol
Exact mass: 261.8629 Da
logP: 3.02Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed87.2% of notifiers
H314 Causes severe skin burns and eye damage87.2% of notifiers
H315 Causes skin irritation12.8% of notifiers
H319 Causes serious eye irritation12.8% of notifiers
H335 May cause respiratory irritation12.8% of notifiers
H400 Very toxic to aquatic life87.2% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

74553-29-0

SMILES

C1=CC(=C(C=C1Br)C=O)Br

InChIKey

BQBXKWGMPUCSQV-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Br2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H

Weigh it out

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

Work with 2,5-Dibromobenzaldehyde

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

2-Bromo-5-hydroxybenzaldehyde2973-80-066 % similar 2-Bromo-5-chlorobenzaldehyde174265-12-460 % similar 5-Bromosalicylaldehyde1761-61-160 % similar 5-Bromosalicylaldehyde17691-61-160 % similar 5-Bromo-2-chlorobenzaldehyde189628-37-360 % similar 2-Amino-5-bromobenzaldehyde29124-57-060 % similar 2,5-Dibromo-1,4-benzenedicarboxaldehyde63525-48-460 % similar 5-Bromo-2-methylbenzaldehyde90050-59-260 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dibromobenzaldehyde56990-02-4 2,6-Dibromobenzaldehyde67713-23-9 3,4-Dibromobenzaldehyde74003-55-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook