2,4,6-Tribromobenzoic acid

C₇H₃Br₃O₂CAS 633-12-5358.81 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₃Br₃O₂
Molar mass: 358.81 g/mol
Exact mass: 355.7683 Da
logP: 3.67Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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

633-12-5

SMILES

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

InChIKey

GHVMJSHEGZYRQL-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Br3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)

Weigh it out

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

Reactions

2,4,6-TRIBROMOBENZOIC ACID (Benzoic acid, 2,4,6-tribromo-)product

Work with 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

2,6-Dibromobenzoic acid601-84-363 % similar 4-Bromo-2,6-difluorobenzoic acid183065-68-160 % similar 4-Bromo-2,6-dichlorobenzoic acid232275-51-360 % similar 3,5-Dibromosalicylic acid3147-55-559 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-959 % similar 3,5-Dibromobenzoic acid618-58-659 % similar 2,4-Dibromobenzoic acid611-00-758 % similar 2-Amino-3,5-dibromobenzoic acid609-85-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4,6-Tribromo-3-hydroxybenzaldehyde2737-22-6

Elsewhere

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