5-Bromo-3-thiophenecarboxylic acid
Properties
- Molecular formula
- C5H3BrO2S
- Molar mass
- 207.04 g/mol
- Exact mass
- 205.9037 Da
- Melting point
- 117–118 °C
- logP
- 2.21Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 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
100523-84-0SMILES
O=C(O)c1csc(Br)c1InChIKey
YCNXGPMGMAKDPM-UHFFFAOYSA-NInChI
InChI=1S/C5H3BrO2S/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 3-Thiophenecarboxylic acid, 5-bromo-
- 2-Bromothiophene-4-carboxylic acid
- 5-Bromothiophene-3-carboxylic acid
Work with 5-Bromo-3-thiophenecarboxylic acid
Similar compounds
5-Chlorothiophene-3-carboxylic acid36157-42-355 % similar
5-Bromo-1,3-benzenedicarboxylic acid23351-91-952 % similar
3,5-Dibromobenzoic acid618-58-652 % similar
Trimesic acid554-95-050 % similar
5-Nitrothiophene-3-carboxylic acid40357-96-847 % similar
2,6-Dibromopyridine-4-carboxylic acid2016-99-147 % similar
4-Bromo-3,5-dihydroxybenzoic acid16534-12-645 % similar
3,5-Dibromo-4-hydroxybenzoic acid3337-62-045 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.