5-Bromo-2-thiopheneboronic Acid (contains varying amounts of Anhydride)

C₄H₄BBrO₂SCAS 162607-17-2206.85 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₄H₄BBrO₂S
Molar mass: 206.85 g/mol
Exact mass: 205.9208 Da
logP: 0.19Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

162607-17-2

SMILES

B(C1=CC=C(S1)Br)(O)O

InChIKey

USJPOBDLWVCPGG-UHFFFAOYSA-N

InChI

InChI=1S/C4H4BBrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H

Weigh it out

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

Names and synonyms

1 names

5-Bromothiophene-2-boronic acid

Work with 5-Bromo-2-thiopheneboronic Acid (contains varying amounts of Anhydride)

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

2,5-Thiophenediylbisboronic acid26076-46-067 % similar 5-Chlorothiophene-2-boronic acid162607-18-350 % similar 5-Methyl-2-thiopheneboronic acid162607-20-750 % similar 2,5-Dibromothiophene3141-27-350 % similar (5-Cyanothiophen-2-yl)boronic acid305832-67-145 % similar 5-Formyl-2-thiopheneboronic acid4347-33-545 % similar 5,5'-Dibromo-2,2'-bithiophene4805-22-544 % similar 5-Carboxythiophene-2-boronic acid465515-31-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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