6-Bromobenzo[b]thiophene-2-carboxylic acid
Properties
- Molecular formula
- C9H5BrO2S
- Molar mass
- 257.10 g/mol
- Exact mass
- 255.9194 Da
- Melting point
- 267 °C
- logP
- 3.36Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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
19075-58-2SMILES
O=C(O)c1cc2ccc(Br)cc2s1InChIKey
CKBBSFOOIOHLPC-UHFFFAOYSA-NInChI
InChI=1S/C9H5BrO2S/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzo[b]thiophene-2-carboxylic acid, 6-bromo-
- 6-Bromobenzothiophene-2-carboxylic acid
- 6-Bromo-1-benzothiophene-2-carboxylic acid
- Benzo[b]thiophene-6-carboxylic acid, 2-(bromocarbonyl)-
Work with 6-Bromobenzo[b]thiophene-2-carboxylic acid
Similar compounds
Benzo[b]thiophene-2-carboxylic acid6314-28-961 % similar
6-Bromo-2-naphthalenecarboxylic acid5773-80-853 % similar
5-Fluorobenzo[b]thiophene-2-carboxylic acid70060-13-851 % similar
Thieno(3,2-b)thiophene-2-carboxylic acid1723-27-949 % similar
4-Bromophthalic acid6968-28-149 % similar
5-Bromo-benzo(b)thiophene-2-carboxylic acid methyl ester7312-11-048 % similar
6-Bromo-1H-indole-2-carboxylic acid16732-65-348 % similar
4-Bromo-2-thiophenecarboxylic acid16694-18-147 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.