2,5-Difluorophenylboronic acid

C₆H₅BF₂O₂CAS 193353-34-3157.91 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₅BF₂O₂
Molar mass: 157.91 g/mol
Exact mass: 158.0351 Da
logP: -0.36Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed12.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 8 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

193353-34-3

SMILES

B(C1=C(C=CC(=C1)F)F)(O)O

InChIKey

KTOJGSDLJNUAEP-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BF2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H

Weigh it out

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

Names and synonyms

1 names

(2,5-Difluorophenyl)boronic acid

Work with 2,5-Difluorophenylboronic 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

(5-Bromo-2-fluorophenyl)boronic acid112204-57-660 % similar 5-Fluoro-2-methylphenylboronic acid163517-62-260 % similar 2-Fluoro-5-methylphenylboronic acid166328-16-160 % similar (5-Chloro-2-fluoro-phenyl)boronic acid352535-83-260 % similar 2-Chloro-5-fluorobenzeneboronic acid444666-39-160 % similar 2,3,5-Trifluorophenylboronic acid247564-73-457 % similar 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-756 % similar (2,4,5-Trifluorophenyl)boronic acid247564-72-356 % similar

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

Same formula

(2,3-Difluorophenyl)boronic acid121219-16-7 2,4-Difluorophenylboronic acid144025-03-6 (3,5-Difluorophenyl)boronic acid156545-07-2 2,6-Difluorophenylboronic acid162101-25-9 (3,4-Difluorophenyl)boronic acid168267-41-2

Elsewhere

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