Tetrabromophthalic acid

C8H2Br4O4CAS 13810-83-8481.72 g/mol

Open in Covalent MOL file
OHOBrBrBrBrOHO
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
13810-83-8
SMILES
O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O
InChIKey
XIRDTMSOGDWMOX-UHFFFAOYSA-N
InChI
InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)

Weigh it out

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

Names and synonyms

5 names
  • 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-
  • Phthalic acid, tetrabromo-
  • 3,4,5,6-Tetrabromo-1,2-benzenedicarboxylic acid
  • Perbromophthalic acid
  • 3,4,5,6-Tetrabromophthalic acid

Work with Tetrabromophthalic 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 acid190723-12-752 % similar 2,6-Dibromobenzoic acid601-84-350 % similar 3-Hydroxy-2,4,6-tribromobenzoic acid14348-40-448 % similar 2,4,6-Tribromobenzoic acid633-12-546 % similar Chlorthal2136-79-046 % similar 2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid652-36-846 % similar 2-Amino-6-bromobenzoic acid20776-48-145 % similar 4-Bromo-3,5-dihydroxybenzoic acid16534-12-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tetrabromoterephthalic acid5411-70-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook