5-Bromo-1,3-benzenedicarboxylic acid
Properties
- Molecular formula
- C8H5BrO4
- Molar mass
- 245.03 g/mol
- Exact mass
- 243.9371 Da
- Melting point
- 275–277 °C
- logP
- 1.85Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed87.2% of notifiers
- H315 Causes skin irritation14.9% of notifiers
- H319 Causes serious eye irritation14.9% of notifiers
- H335 May cause respiratory irritation12.8% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
23351-91-9SMILES
O=C(O)c1cc(Br)cc(C(=O)O)c1InChIKey
JATKASGNRMGFSW-UHFFFAOYSA-NInChI
InChI=1S/C8H5BrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1,3-Benzenedicarboxylic acid, 5-bromo-
- Isophthalic acid, 5-bromo-
- 5-Bromoisophthalic acid
- 5-Bromo-1,3-benzenedicarboxyic acid
Work with 5-Bromo-1,3-benzenedicarboxylic acid
Similar compounds
3,5-Dibromobenzoic acid618-58-690 % similar
Trimesic acid554-95-075 % similar
3-Bromo-5-hydroxybenzoic acid140472-69-173 % similar
3-Bromo-5-fluorobenzoic acid176548-70-270 % similar
3-Bromo-5-iodobenzoic acid188815-32-970 % similar
3-Bromo-5-chlorobenzoic acid42860-02-670 % similar
Biphenyl-3,3',5,5'-tetracarboxylic acid4371-28-265 % similar
4-Bromobenzoic acid586-76-564 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.