5-Chlorothiophene-2-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 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled10% of notifiers
- H302 Harmful if swallowed30% of notifiers
- H312 Harmful in contact with skin10% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled10% of notifiers
- H335 May cause respiratory irritation90% of notifiers
Aggregated from 10 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
162607-18-3SMILES
B(C1=CC=C(S1)Cl)(O)OInChIKey
JFCLNCVCDFUJPO-UHFFFAOYSA-NInChI
InChI=1S/C4H4BClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 5-Chlorothiophene-2-boronic acid
Similar compounds
2,5-Thiophenediylbisboronic acid26076-46-067 % similar
5-Bromo-2-thiopheneboronic Acid (contains varying amounts of Anhydride)162607-17-250 % similar
5-Methyl-2-thiopheneboronic acid162607-20-750 % similar
2,5-Dichlorothiophene173777-89-450 % similar
2,5-Dichlorothiophene3172-52-950 % similar
5-Chlorothiophene-2-boronic acid pinacol ester635305-24-745 % similar
(5-Cyanothiophen-2-yl)boronic acid305832-67-145 % similar
5-Formyl-2-thiopheneboronic acid4347-33-545 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.