2,5-Dibromo-1,4-benzenedicarboxaldehyde

C₈H₄Br₂O₂CAS 63525-48-4291.93 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₈H₄Br₂O₂
Molar mass: 291.93 g/mol
Exact mass: 289.8578 Da
logP: 2.84Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

63525-48-4

SMILES

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

InChIKey

VSUKSWCSOBXUFG-UHFFFAOYSA-N

InChI

InChI=1S/C8H4Br2O2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-4H

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Names and synonyms

1 names

2,5-Dibromoterephthalaldehyde

Work with 2,5-Dibromo-1,4-benzenedicarboxaldehyde

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-4,5-difluorobenzaldehyde476620-54-967 % similar 2,5-Dibromobenzaldehyde74553-29-060 % similar 6-Bromo-1,3-benzodioxole-5-carboxaldehyde15930-53-759 % similar 6-Bromoveratraldehyde5392-10-959 % similar 2-Bromobenzaldehyde6630-33-757 % similar 2-Bromo-5-chlorobenzaldehyde174265-12-456 % similar 2-Bromo-4-hydroxybenzaldehyde22532-60-156 % similar 2-Bromo-5-hydroxybenzaldehyde2973-80-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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