2-Fluorophenylboronic acid

C₆H₆BFO₂CAS 1993-03-9139.92 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₆BFO₂
Molar mass: 139.92 g/mol
Exact mass: 140.0445 Da
logP: -0.49Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation90.9% of notifiers
H319 Causes serious eye irritation90.9% of notifiers
H335 May cause respiratory irritation81.8% of notifiers

Aggregated from 11 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

1993-03-9

SMILES

B(C1=CC=CC=C1F)(O)O

InChIKey

QCSLIRFWJPOENV-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BFO2/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.

Work with 2-Fluorophenylboronic 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

(2,3-Difluorophenyl)boronic acid121219-16-765 % similar (2-Chloro-3-fluorophenyl)boronic acid871329-52-163 % similar 3-Fluoro-2-methylphenylboronic Acid163517-61-161 % similar B-(4-Fluoro-1-naphthalenyl)boronic acid182344-25-857 % similar 3-Fluoro-4-biphenylboronic acid409108-13-057 % similar 2,6-Difluorophenylboronic acid162101-25-956 % similar B-(3-Fluoro-2-formylphenyl)boronic acid871126-15-755 % similar 2,4-Difluorophenylboronic acid144025-03-654 % similar

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

Same formula

(4-Fluorophenyl)boronic acid1765-93-1 3-Fluorophenylboronic acid768-35-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook