3-(Bromomethyl)-5-chlorobenzo[B]thiophene
Properties
- Molecular formula
- C9H6BrClS
- Molar mass
- 261.56 g/mol
- Exact mass
- 259.9062 Da
- logP
- 4.45Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H290 May be corrosive to metals20% of notifiers
- H302 Harmful if swallowed40% of notifiers
- H312 Harmful in contact with skin20% of notifiers
- H314 Causes severe skin burns and eye damage80% of notifiers
- H315 Causes skin irritation20% of notifiers
- H318 Causes serious eye damage20% of notifiers
- H319 Causes serious eye irritation20% of notifiers
- H332 Harmful if inhaled20% of notifiers
- H335 May cause respiratory irritation40% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, P501
Identifiers
CAS number
1198-51-2SMILES
C1=CC2=C(C=C1Cl)C(=CS2)CBrInChIKey
FKQSFVITUNJLCY-UHFFFAOYSA-NInChI
InChI=1S/C9H6BrClS/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5H,4H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-(Bromomethyl)-5-chloro-1-benzothiophene
Work with 3-(Bromomethyl)-5-chlorobenzo[B]thiophene
Similar compounds
(5-Chlorobenzo[b]thiophen-3-yl)methanamine71625-90-666 % similar
5-Chlorobenzo[b]thiophene-3-acetonitrile23799-60-261 % similar
5-Chlorobenzo[b]thiophene-3-acetic acid17266-30-756 % similar
5-Chloro-3-methylbenzo[b]thiophene19404-18-353 % similar
2,4-Dichlorobenzyl bromide20443-99-649 % similar
2,5-Dichlorobenzyl bromide85482-13-949 % similar
2-Bromo-5-chlorobenzyl bromide66192-24-347 % similar
4-Chloro-2-fluorobenzyl bromide71916-82-046 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.