3-Hydroxy-2,4,6-tribromobenzoic acid

C₇H₃Br₃O₃CAS 14348-40-4374.81 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₇H₃Br₃O₃
Molar mass: 374.81 g/mol
Exact mass: 371.7632 Da
logP: 3.38Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin88.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled88.9% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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

14348-40-4

SMILES

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

InChIKey

YDBHVMTTYXWHLI-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Br3O3/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1,11H,(H,12,13)

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Names and synonyms

1 names

2,4,6-Tribromo-3-hydroxybenzoic acid

Work with 3-Hydroxy-2,4,6-tribromobenzoic 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

3,5-Dibromo-4-hydroxybenzoic acid3337-62-058 % similar 2,4,6-Tribromoresorcinol2437-49-255 % similar 2,4,6-Tribromobenzoic acid633-12-555 % similar 3,5-Dibromosalicylic acid3147-55-551 % similar Tetrabromoterephthalic acid5411-70-150 % similar 2,6-Dibromobenzoic acid601-84-348 % similar Tetrabromophthalic acid13810-83-848 % similar 2,4,6-Tribromo-3-hydroxybenzaldehyde2737-22-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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