2,4-Dibromobenzoic acid

C7H4Br2O2CAS 611-00-7279.91 g/mol

Open in Covalent MOL file
OHOBrBr
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H4Br2O2
Molar mass
279.91 g/mol
Exact mass
277.8578 Da
Melting point
174 °C
logP
2.91Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 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
611-00-7
SMILES
O=C(O)c1ccc(Br)cc1Br
InChIKey
NAGGYODWMPFKJQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Br2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

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Names and synonyms

1 names
  • Benzoic acid, 2,4-dibromo-

Work with 2,4-Dibromobenzoic 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

4-Bromophthalic acid6968-28-172 % similar Bromoterephthalic acid586-35-668 % similar 4-Bromo-2-hydroxybenzoic acid1666-28-066 % similar 2-Amino-4-bromobenzoic acid20776-50-566 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-364 % similar 2-Bromo-4-fluorobenzoic acid1006-41-364 % similar 4-Bromo-2-fluorobenzoic acid112704-79-764 % similar 4-Bromo-2-iodobenzoic acid1133123-02-064 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dibromo-4-hydroxybenzaldehyde2973-77-5 2,6-Dibromobenzoic acid601-84-3 2,5-Dibromobenzoic acid610-71-9 3,5-Dibromobenzoic acid618-58-6 3,4-Dibromobenzoic acid619-03-4 3,5-Dibromosalicylaldehyde90-59-5

Elsewhere

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