3,4-Difluorophenylboronic Acid

Inquiry

Molecular Formula:

C6H5F2O2B

Molecular Weight:

157.91

CAS Number:

168267-41-2

Catalog Number:

168267-41-2

Product Information

Molecular Formula:

C6H5F2O2B

Molecular Weight:

157.91

Description

Reactant involved in: Suzuki cross-coupling reactions with aryl and heteroaryl halides; Oxo directing Liebeskind-Srogl cross-coupling reactions with gem-dihaloolefin-type α-oxo ketene dithioacetals; Substitution reactions with enyne acetates and carbonates.

Synonyms

(3,4-difluorophenyl)boronic acid; (3,4-difluorophenyl)boronic acid

IUPAC Name

(3,4-difluorophenyl)boronic acid

Canonical SMILES

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

InChI

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

InChI Key

RMGYQBHKEWWTOY-UHFFFAOYSA-N

Boiling Point

265.4 °C / 760 mmHg

Melting Point

305-310 °C (lit.)

Flash Point

Not applicable

Purity

≥ 95 %

Density

1.354 g/cm³

Storage

Keep in dark place. Sealed in dry. Room temperature.

LogP

-0.35540

Safety Information

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

158.0350659 g/mol

Monoisotopic Mass

158.0350659 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

134

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

Patents

Publication Number	Title	Priority Date
CN-112939881-A	Bi-component organic room temperature phosphorescent material and preparation method thereof	2021-02-19
WO-2022048684-A1	Jnk inhibitor, pharmaceutical composition thereof and use thereof	2020-09-07
WO-2022026892-A1	Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers	2020-07-31
WO-2022023339-A1	Aryl substituted pyrrolo-pyridinones and therapeutic uses thereof	2020-07-29
CN-111518058-A	Oxathiazine compound and application thereof	2020-05-29
CN-111518058-B	Oxathiazine compound and application thereof	2020-05-29
CN-111559990-A	Micromolecular oxathiazine derivative and application thereof	2020-05-29
CN-111559990-B	Micromolecular oxathiazine derivative and application thereof	2020-05-29
WO-2021238587-A1	Micromolecular oxathiazine derivative and use thereof	2020-05-29
WO-2021238588-A1	Oxathiazine compound and use thereof	2020-05-29

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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