4-Fluoro-3-methylphenylboronic Acid

Inquiry

Molecular Formula:

C7H8FO2B

Molecular Weight:

153.95

CAS Number:

139911-27-6

Catalog Number:

139911-27-6

Product Information

Molecular Formula:

C7H8FO2B

Molecular Weight:

153.95

Description

Reactant for: Preparation of lipophilic-tailed monocationic inhibitors of neuronal nitric oxide synthase; Stereoselective desymmetrizing rhodium-catalyzed allylic arylation; Solvent free catalytic C-H functionalization reactions; Homocoupling reactions; Suzuki-Miyaura cross-coupling and Heck reactions under air.

Synonyms

(4-fluoro-3-methylphenyl)boronic acid; (4-fluoro-3-methylphenyl)boronic acid

IUPAC Name

(4-fluoro-3-methylphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C7H8BFO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,10-11H,1H3

InChI Key

JCIJCHSRVPSOML-UHFFFAOYSA-N

Boiling Point

282 °C at 760 mmHg

Melting Point

212-217 °C (lit.)

Flash Point

Not applicable

Purity

≥ 95 %

Density

1.523 g/cm³

LogP

-0.18610

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

154.0601378 g/mol

Monoisotopic Mass

154.0601378 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

132

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-113788846-A	Tricyclic thiazolo [5,4-d ] pyrimidone derivative and application thereof	2021-10-27
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CN-112851671-A	4-substituted pyrido [2,3-d ] pyrimidine-7-ketone compound and preparation method and application thereof	2021-02-08
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CN-112778090-A	Preparation method of 3, 5-difluorophenol	2021-01-12
CN-112687878-A	Electrochemical device and electronic device	2020-12-25
CN-112574216-A	Compound, preparation method thereof and application thereof in preparing anti-cancer drugs	2020-12-16
CN-112574216-B	Compound, preparation method thereof and application thereof in preparing anti-cancer drugs	2020-12-16

The molarity calculator equation

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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