2,4-Difluorophenylboronic Acid

Inquiry

Molecular Formula:

C6H5F2O2B

Molecular Weight:

157.91

CAS Number:

144025-03-6

Catalog Number:

144025-03-6

Product Information

Molecular Formula:

C6H5F2O2B

Molecular Weight:

157.91

Description

Reactant involved in: End group capping; Suzuki-Miyaura cross-coupling reactions; Phosphorescent sensor for biologically mobile zinc and blue green phosphorescent OLEDs. Widely used in Suzuki coupling.

Synonyms

(2,4-difluorophenyl)boronic acid; (2,4-difluorophenyl)boronic acid

IUPAC Name

(2,4-difluorophenyl)boronic acid

Canonical SMILES

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

InChI

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

InChI Key

QQLRSCZSKQTFGY-UHFFFAOYSA-N

Boiling Point

251 °C at 760 mmHg

Melting Point

247-250 °C (lit.)

Flash Point

Not applicable

Purity

≥ 95 %

Density

1.35 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

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-114106058-A	Preparation method and application of aggregation-induced emission platinum complex	2021-12-15
CN-114106056-A	Metal organic light-emitting material and application thereof in OLED device	2021-12-02
CN-113980058-A	Phenanthroline derivative-based binuclear iridium complex and preparation method and application thereof	2021-11-29
CN-113307798-A	High-efficiency electroluminescent material and preparation method thereof	2021-05-26
CN-113231061-A	Cerium dioxide nanorod supported catalyst and preparation method and application thereof	2021-03-04
WO-2022053823-A1	Substituted pyrimidine derivatives as nicotinic acetylcholinesterase receptor alpha 6 modulator	2020-09-11
WO-2022049134-A1	Heterocyclic compounds	2020-09-03
CN-111961085-A	Preparation method and application of aggregation-induced emission halogen-modified platinum complex	2020-07-23
CN-111961085-B	Preparation method and application of aggregation-induced emission halogen-modified platinum complex	2020-07-23
CN-113831335-A	Pyridine [2,3-d ] pyrimidine-4- (3H) -ketone compound and preparation method and application thereof	2020-06-24

Literatures

PMID	Publication Date	Title	Journal
22065292	2011-09-01	Bis[3,5-difluoro-2-(4-methyl-pyridin-2-yl)phenyl-κC,N](picolinato-κN,O)iridium(III) chloro-form monosolvate	Acta crystallographica. Section E, Structure reports online
21581686	2008-12-10	2,4-Difluoro-phenyl-boronic acid	Acta crystallographica. Section E, Structure reports online
21201131	2008-09-13	1-(2',4'-Difluoro-biphenyl-4-yl)ethanone	Acta crystallographica. Section E, Structure reports online
4737	1976-04-29	Bifurcated hydrogen bonds and flip--flop conformation in a modified nucleic acid base, gc6 Ade	Nature
5081	1976-02-23	Determination and characterization of neuron specific protein (NSP) associated enolase activity	Biochemical and biophysical research communications

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