(2-Bromophenyl)boronic acid

C₆H₆BBrO₂CAS 244205-40-1200.83 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₆BBrO₂
Molar mass: 200.83 g/mol
Exact mass: 199.9644 Da
logP: 0.13Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% 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

244205-40-1

SMILES

B(C1=CC=CC=C1Br)(O)O

InChIKey

PLVCYMZAEQRYHJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BBrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H

Weigh it out

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

Names and synonyms

1 names

2-Bromophenylboronic acid

Work with (2-Bromophenyl)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

4-Bromo-1-naphthaleneboronic Acid145965-14-659 % similar (3-Bromo-2-fluorophenyl)boronic acid352535-97-859 % similar (2-Hydroxyphenyl)boronic acid89466-08-052 % similar 2-Methylphenylboronic acid16419-60-650 % similar 2-Fluorophenylboronic acid1993-03-950 % similar 2-Chlorophenylboronic acid3900-89-850 % similar (2-Aminophenyl)boronic acid5570-18-350 % similar [2-(Bromomethyl)phenyl]boronic acid91983-14-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Bromophenyl)boronic acid5467-74-3 (3-Bromophenyl)boronic acid89598-96-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook