2-Chlorothiophene-3-boronic acid

C₄H₄BClO₂SCAS 177734-82-6162.39 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₄H₄BClO₂S
Molar mass: 162.39 g/mol
Exact mass: 161.9714 Da
logP: 0.08Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% 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

177734-82-6

SMILES

OB(O)c1ccsc1Cl

InChIKey

JWVLMZZYJOJCTI-UHFFFAOYSA-N

InChI

InChI=1S/C4H4BClO2S/c6-4-3(5(7)8)1-2-9-4/h1-2,7-8H

Weigh it out

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

Names and synonyms

8 names

B-(2-Chloro-3-thienyl)boronic acid
Boronic acid, B-(2-chloro-3-thienyl)-
Boronic acid, (2-chloro-3-thienyl)-
(2-Chlorothiophen-3-yl)dihydroxyborane
2-Chloro-3-thiopheneboronic acid
(2-Chloro-3-thienyl)boronic acid
(2-Chlorothien-3-yl)boronic acid
(2-Chlorothiophen-3-yl)boronic acid

Work with 2-Chlorothiophene-3-boronic acid

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

2-Formyl-3-thiopheneboronic acid4347-31-347 % similar 2,3-Dichlorothiophene17249-79-544 % similar 2-Chloro-3-methylthiophene14345-97-241 % similar 3-Bromo-2-chlorothiophene40032-73-341 % similar 2-Chlorophenylboronic acid3900-89-840 % similar (2,3-Dichlorophenyl)boronic acid151169-74-338 % similar 3-Methylthiophene-2-boronic acid177735-09-038 % similar B-(2,3,4-Trichlorophenyl)boronic acid352530-21-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Chlorothiophene-2-boronic acid162607-18-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook