4-Bromo-3-hydroxybenzoic acid

C₇H₅BrO₃CAS 14348-38-0217.02 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₇H₅BrO₃
Molar mass: 217.02 g/mol
Exact mass: 215.9422 Da
logP: 1.85Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

14348-38-0

SMILES

C1=CC(=C(C=C1C(=O)O)O)Br

InChIKey

PAJSESFUWIYFNF-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)

Weigh it out

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

Work with 4-Bromo-3-hydroxybenzoic acid

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

3,4-Dibromobenzoic acid619-03-470 % similar Protocatechuic acid99-50-367 % similar 4-Bromo-1,3-benzenedicarboxylic acid6939-93-166 % similar 2-Hydroxyterephthalic acid636-94-263 % similar 4-Bromo-3-fluorobenzoic acid153556-42-462 % similar 4-Bromo-3-chlorobenzoic acid25118-59-662 % similar 3-Amino-4-bromobenzoic acid2840-29-162 % similar 4-Bromo-3-methylbenzoic acid7697-28-162 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-5-hydroxybenzoic acid140472-69-1 3-Bromo-4-hydroxybenzoic acid14348-41-5 4-Bromo-2-hydroxybenzoic acid1666-28-0 2-Bromo-5-hydroxybenzoic acid58380-11-3 5-Bromosalicylic acid89-55-4

Elsewhere

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