4-Bromo-2-thiophenecarboxylic acid
Properties
- Molecular formula
- C5H3BrO2S
- Molar mass
- 207.04 g/mol
- Exact mass
- 205.9037 Da
- Melting point
- 113–114 °C
- logP
- 2.21Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed75% of notifiers
- H312 Harmful in contact with skin75% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled75% of notifiers
- H335 May cause respiratory irritation75% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
16694-18-1SMILES
O=C(O)c1cc(Br)cs1InChIKey
HJZFPRVFLBBAMU-UHFFFAOYSA-NInChI
InChI=1S/C5H3BrO2S/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-Thiophenecarboxylic acid, 4-bromo-
Work with 4-Bromo-2-thiophenecarboxylic acid
Similar compounds
4-Methyl-2-thiophenecarboxylic acid14282-78-156 % similar
1-(4-Bromo-2-thienyl)ethan-1-one7209-11-256 % similar
Methyl 4-bromothiophene-2-carboxylate62224-16-251 % similar
5-Bromo-1,3-benzenedicarboxylic acid23351-91-950 % similar
3,5-Dibromobenzoic acid618-58-650 % similar
6-Bromobenzo[b]thiophene-2-carboxylic acid19075-58-247 % similar
5-Bromo-1-benzothiophene-3-carboxylic acid7312-24-547 % similar
4,5-Dibromo-2-thiophenecarboxylic acid6324-10-346 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.