4-Fluorophenylboronic Acid

Inquiry

Molecular Formula:

C6H6FO2B

Molecular Weight:

139.92

CAS Number:

1765-93-1

Catalog Number:

1765-93-1

Product Information

Molecular Formula:

C6H6FO2B

Molecular Weight:

139.92

Description

Reagent used for: Suzuki coupling using microwave and triton B catalyst ; Pd-catalyzed direct arylation of pyrazoles with phenylboronic acids ; Mizoroki-Heck and Suzuki-Miyaura coupling reactions catalyzed by palladium nanoparticles ; Cu-catalyzed Petasis reactions ; Tandem-type Pd(II)-catalyzed oxidative Heck reaction and intramolecular C-H amidation sequence ; Ruthenium catalyzed direct arylation ; Rh-catalyzed asymmetric conjugate additions ; Ligand-free copper-catalyzed coupling of nitro arenes with arylboronic acids ; Regioselective arylation and alkynylation by Suzuki-Miyaura and Sonogashira cross-coupling reactions.

Synonyms

(4-fluorophenyl)boronic acid; (4-fluorophenyl)boronic acid

IUPAC Name

(4-fluorophenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C6H6BFO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H

InChI Key

LBUNNMJLXWQQBY-UHFFFAOYSA-N

Boiling Point

258.4 °C at 760 mmHg

Melting Point

262-265 °C (lit.)

Flash Point

Not applicable

Purity

≥ 95 %

Density

1.24 g/cm³

LogP

-0.49450

Safety Information

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

140.0444878 g/mol

Monoisotopic Mass

140.0444878 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

102

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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4-Fluorophenylboronic Acid

Product Information

Safety Information

Computed Properties

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