4-Fluoro-3-methylphenylboronic Acid

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
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
154.0601378 g/mol
Monoisotopic Mass
154.0601378 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
132
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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
CN-113666942-A Compound, liquid crystal composition and display device 2021-07-16
CN-113402412-A (E) Method for synthesizing (beta) -fluoroacrylamide derivative 2021-06-10
CN-113105374-A Method for synthesizing alkylamine derivative 2021-04-14
CN-112851671-A 4-substituted pyrido [2,3-d ] pyrimidine-7-ketone compound and preparation method and application thereof 2021-02-08
CN-112939971-A Coumarin compound and preparation method and application thereof 2021-02-08
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)

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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