2-Bromo-5-hydroxy-4-methoxybenzaldehyde

C₈H₇BrO₃CAS 2973-59-3231.04 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether Phenol

Properties

Molecular formula: C₈H₇BrO₃
Molar mass: 231.04 g/mol
Exact mass: 229.9579 Da
Melting point: 115 °C
logP: 1.98Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H317 May cause an allergic skin reactionSensitization, Skin
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 605-024-00-0), via PubChem.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

2973-59-3

SMILES

COc1cc(Br)c(C=O)cc1O

InChIKey

AHYSXUDLJOFNAB-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrO3/c1-12-8-3-6(9)5(4-10)2-7(8)11/h2-4,11H,1H3

Weigh it out

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

Names and synonyms

5 names

Benzaldehyde, 2-bromo-5-hydroxy-4-methoxy-
p-Anisaldehyde, 2-bromo-5-hydroxy-
Isovanillin, 6-bromo-
6-Bromoisovanillin
2-Bromo-5-hydroxy-p-anisaldehyde

Work with 2-Bromo-5-hydroxy-4-methoxybenzaldehyde

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

6-Bromovanillin60632-40-888 % similar 6-Bromoveratraldehyde5392-10-973 % similar 4-Bromo-2,5-dimethoxybenzaldehyde31558-41-561 % similar 2-Bromo-4-methoxybenzaldehyde43192-31-055 % similar 5-(Benzyloxy)-2-bromo-4-methoxybenzaldehyde6451-86-152 % similar Vanillin121-33-551 % similar 4-Hydroxy-2-methoxybenzaldehyde18278-34-751 % similar 4-Bromo-2-methoxybenzaldehyde43192-33-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 4-bromo-3-hydroxybenzoate106291-80-9 3-Bromo-5-methoxybenzoic acid157893-14-6 2-(4-Bromophenoxy)acetic acid1878-91-7 O-Bromophenoxyacetic acid1879-56-7 Methyl 5-bromo-3-hydroxybenzoate192810-12-1 6-Bromo-2-hydroxy-3-methoxybenzaldehyde20035-41-0 2-Bromo-5-methoxybenzoic acid22921-68-2 5-Bromo-2-methoxybenzoic acid2476-35-9

Elsewhere

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