3-Bromo-4-hydroxybenzaldehyde

C7H5BrO2CAS 2973-78-6201.02 g/mol

Open in Covalent MOL file
OOHBr
AldehydeAryl halidePhenol

Properties

Molecular formula
C7H5BrO2
Molar mass
201.02 g/mol
Exact mass
199.9473 Da
Melting point
125–126 °C
logP
1.97Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
2973-78-6
SMILES
O=Cc1ccc(O)c(Br)c1
InChIKey
UOTMHAOCAJROQF-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H

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Names and synonyms

4 names
  • Benzaldehyde, 3-bromo-4-hydroxy-
  • 4-Hydroxy-3-bromobenzaldehyde
  • 2-Bromo-4-formylphenol
  • NSC 220227

Work with 3-Bromo-4-hydroxybenzaldehyde

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

Protocatechuic aldehyde139-85-564 % similar 3,4-Dibromobenzaldehyde74003-55-764 % similar 3,5-Dibromo-4-hydroxybenzaldehyde2973-77-562 % similar 3-Chloro-4-hydroxybenzaldehyde2420-16-861 % similar 4-Hydroxyisophthalaldehyde3328-70-960 % similar 4-Hydroxy-3-methylbenzaldehyde15174-69-356 % similar 3-Bromo-4-methyl benzaldehyde36276-24-156 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromosalicylaldehyde1761-61-1 5-Bromosalicylaldehyde17691-61-1 3-Bromo-2-hydroxybenzaldehyde1829-34-1 4-Bromo-3-hydroxybenzaldehyde20035-32-9 2-Bromo-4-hydroxybenzaldehyde22532-60-1 2-Bromo-6-hydroxybenzaldehyde22532-61-2 4-Bromo-2-hydroxybenzaldehyde22532-62-3 5-Bromo-1,3-benzodioxole2635-13-4

Elsewhere

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