2,6-Difluorophenylboronic Acid

Inquiry

Molecular Formula:

C6H5F2O2B

Molecular Weight:

157.91

CAS Number:

162101-25-9

Catalog Number:

162101-25-9

Product Information

Molecular Formula:

C6H5F2O2B

Molecular Weight:

157.91

Description

2,6-Difluorophenylboronic acid can be used: As a substrate in the model reaction of Suzuki-Miyaura coupling with 4-chloro-3-methylanisole; To prepare 4-bromo-2,3',5',6-tetrafluorobiphenyl, a key intermediate for the synthesis of 2,6-difluorinated oligophenyls applicable in organic semiconductors; To prepare ethyl 4-(2,6-difluorophenyl)nicotinate, a key intermediate for the synthesis of 4-phenyl pyridine based potent TGR5 agonists.

Synonyms

(2,6-difluorophenyl)boronic acid; (2,6-difluorophenyl)boronic acid

IUPAC Name

(2,6-difluorophenyl)boronic acid

Canonical SMILES

B(C1=C(C=CC=C1F)F)(O)O

InChI

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

InChI Key

DBZAICSEFBVFHL-UHFFFAOYSA-N

Boiling Point

193.1 °C at 760 mmHg

Melting Point

147-149 °C (lit.)

Flash Point

Not applicable

Purity

98 %

Density

1.123 g/cm³

LogP

-0.35540

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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

158.0350659 g/mol

Monoisotopic Mass

158.0350659 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

124

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-112794860-A	Oxazole pyrimidone amide compound or medicinal salt thereof, preparation method and application	2021-03-24
CN-112794860-B	Oxazole pyrimidone amide compound or medicinal salt thereof, preparation method and application	2021-03-24
WO-2022032484-A1	Pyridazine-3-formamide compound, and preparation method therefor and medical use thereof	2020-08-11
WO-2022033410-A1	Efgr inhibitor, preparation method therefor, and application thereof	2020-08-10
WO-2022008911-A1	Benzodiazepine derivatives useful in treating a respiratory syncytial virus infection	2020-07-07
US-2021380591-A1	Anthelmintic heterocyclic compounds	2020-05-29
WO-2021242581-A1	Anthelmintic heterocyclic compounds	2020-05-29
CN-113666967-A	Organometallic compound, organic light emitting device including the same, and electronic apparatus including the organic light emitting device	2020-05-14
EP-3909964-A2	Organometallic compound, organic light-emitting device including the same, and electronic apparatus including the organic light-emitting device	2020-05-14
JP-2021178819-A	Organometallic compounds, organic light emitting devices containing them, and electronic devices	2020-05-14

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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