3-Bromo-2-chlorothiophene

C₄H₂BrClSCAS 40032-73-3197.47 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₂BrClS
Molar mass: 197.47 g/mol
Exact mass: 195.8749 Da
logP: 3.16Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation89.1% of notifiers

Aggregated from 46 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

40032-73-3

SMILES

C1=CSC(=C1Br)Cl

InChIKey

KSHOQKKCPJELBV-UHFFFAOYSA-N

InChI

InChI=1S/C4H2BrClS/c5-3-1-2-7-4(3)6/h1-2H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-Bromo-2-chlorothiophene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,3'-Dibromo-2,2'-bithiophene51751-44-159 % similar 2,3-Dichlorothiophene17249-79-550 % similar 2,3-Dibromothiophene3140-93-050 % similar 2-Chloro-3-methylthiophene14345-97-246 % similar 7-Bromo-benzo[B]thiophene1423-61-644 % similar 4-Bromobenzo[b]thiophene5118-13-843 % similar 3-Bromothiophene-2-carboxylic acid7311-64-042 % similar 2-Chlorothiophene-3-boronic acid177734-82-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-5-chlorothiophene2873-18-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook