Bromoterephthalic acid
Properties
- Molecular formula
- C8H5BrO4
- Molar mass
- 245.03 g/mol
- Exact mass
- 243.9371 Da
- Melting point
- 299 °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 swallowed83.3% of notifiers
- H315 Causes skin irritation97.9% of notifiers
- H319 Causes serious eye irritation97.9% of notifiers
- H335 May cause respiratory irritation95.8% of notifiers
Aggregated from 48 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
586-35-6SMILES
O=C(O)c1ccc(C(=O)O)c(Br)c1InChIKey
QPBGNSFASPVGTP-UHFFFAOYSA-NInChI
InChI=1S/C8H5BrO4/c9-6-3-4(7(10)11)1-2-5(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
5 names
- 1,4-Benzenedicarboxylic acid, 2-bromo-
- Terephthalic acid, bromo-
- 2-Bromo-1,4-benzenedicarboxylic acid
- 2-Bromoterephthalic acid
- NSC 3985
Work with Bromoterephthalic acid
Similar compounds
3,4-Dibromobenzoic acid619-03-472 % similar
2,4-Dibromobenzoic acid611-00-768 % similar
3-Bromo-4-hydroxybenzoic acid14348-41-566 % similar
Trimellitic acid528-44-966 % similar
2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-364 % similar
2-Bromo-4-fluorobenzoic acid1006-41-364 % similar
3-Bromo-4-fluorobenzoic acid1007-16-564 % similar
3-Bromo-4-chlorobenzoic acid42860-10-664 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.