Tetrabromoterephthalic acid

C₈H₂Br₄O₄CAS 5411-70-1481.72 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₂Br₄O₄
Molar mass: 481.72 g/mol
Exact mass: 477.6687 Da
logP: 4.13Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 40 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

5411-70-1

SMILES

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

InChIKey

PNXPXUDJXYVOFM-UHFFFAOYSA-N

InChI

InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)

Weigh it out

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

Work with Tetrabromoterephthalic 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

2,5-Dibromothiophene-3,4-dicarboxylic acid190723-12-754 % similar 2,6-Dibromobenzoic acid601-84-352 % similar 3-Hydroxy-2,4,6-tribromobenzoic acid14348-40-450 % similar 2,4,6-Tribromobenzoic acid633-12-548 % similar Chlorthal2136-79-048 % similar 2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid652-36-848 % similar 4-Bromo-3,5-dihydroxybenzoic acid16534-12-646 % similar Pentachlorobenzoic acid1012-84-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tetrabromophthalic acid13810-83-8

Elsewhere

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