3-Bromo-1-benzothiophene
Properties
- Molecular formula
- C8H5BrS
- Molar mass
- 213.09 g/mol
- Exact mass
- 211.9295 Da
- logP
- 3.66Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled16.7% of notifiers
- H302 Harmful if swallowed16.7% of notifiers
- H312 Harmful in contact with skin16.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled16.7% of notifiers
- H335 May cause respiratory irritation16.7% of notifiers
Aggregated from 6 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
7342-82-7SMILES
C1=CC=C2C(=C1)C(=CS2)BrInChIKey
SRWDQSRTOOMPMO-UHFFFAOYSA-NInChI
InChI=1S/C8H5BrS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Benzo(b)thiophene, 3-bromo-
Work with 3-Bromo-1-benzothiophene
Similar compounds
3-Methylbenzothiophene1455-18-150 % similar
4-Bromodibenzothiophene97511-05-248 % similar
1-Bromodibenzothiophene65642-94-647 % similar
1,4-Dibromonaphthalene83-53-446 % similar
(1-Benzothiophen-3-yl)boronic acid113893-08-645 % similar
Benzo[b]thiophene-3-carboxaldehyde5381-20-445 % similar
3-Bromothieno(3,2-b)thiophene25121-83-945 % similar
1,5-Dibromonaphthalene7351-74-842 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.