2,5-Difluorophenylboronic Acid

Product Information

Molecular Formula:
C6H5F2O2B
Molecular Weight:
157.91
Description
Reactant for: Suzuki-Miyaura cross-coupling reactions; Preparation of selective sphingosine phosphate receptor antagonists.
Synonyms
(2,5-difluorophenyl)boronic acid; (2,5-difluorophenyl)boronic acid
IUPAC Name
(2,5-difluorophenyl)boronic acid
Canonical SMILES
B(C1=C(C=CC(=C1)F)F)(O)O
InChI
InChI=1S/C6H5BF2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H
InChI Key
KTOJGSDLJNUAEP-UHFFFAOYSA-N
Boiling Point
271.3 °C at 760 mmHg
Melting Point
105-110 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.35 g/cm3
LogP
-0.35540

Safety Information

Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
158.0350659 g/mol
Monoisotopic Mass
158.0350659 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
134
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-114181144-A Fluorobiphenyl methyl resorcinol ether derivative, preparation method and application thereof 2021-12-06
CN-112939881-A Bi-component organic room temperature phosphorescent material and preparation method thereof 2021-02-19
WO-2022051596-A1 Bicyclic-heterocycle derivatives and their uses as orexin-2 receptor agonists 2020-09-03
CN-114075195-A Pyrimidone derivatives and their use in medicine 2020-08-21
WO-2022037560-A1 Pyrimidone derivative and application thereof in drug 2020-08-21
WO-2022023339-A1 Aryl substituted pyrrolo-pyridinones and therapeutic uses thereof 2020-07-29
WO-2022013311-A1 Pyrido oxazine derivatives as alk5 inhibitors 2020-07-15
WO-2022013312-A1 Pyrido oxazine amino derivatives as alk5 inhibitors 2020-07-15
CN-111559990-A Micromolecular oxathiazine derivative and application thereof 2020-05-29
CN-111559990-B Micromolecular oxathiazine derivative and application thereof 2020-05-29

Literatures

PMID Publication Date Title Journal
11968014 2002-01-01 Real-time quantitative RT-PCR analysis of human bone marrow stromal cells during osteogenic differentiation in vitro Journal of cellular biochemistry
5184 1976-04-01 Acid proteases from species of Mucor. IV. Hydrogen-tritium exchange of Mucor miehei protease Canadian journal of biochemistry
5826 1975-02-01 [The meaning of the normal values of the ejaculate for fertility] Zeitschrift fur Hautkrankheiten
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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