2,3-Difluorophenylboronic Acid
Product Information
Molecular Formula
C6H5F2O2B
Molecular Weight
157.91
Description
Reactant for: Suzuki-Miyaura cross-coupling reactions; Preparation of biologically and pharmacologically active molecules.
Synonyms
(2,3-difluorophenyl)boronic acid; (2,3-difluorophenyl)boronic acid
IUPAC Name
(2,3-difluorophenyl)boronic acid
SMILES
B(C1=C(C(=CC=C1)F)F)(O)O
InChI
InChI=1S/C6H5BF2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H
InChI Key
SZYXKFKWFYUOGZ-UHFFFAOYSA-N
Boiling Point
274.8 °C / 760 mmHg
Melting Point
95 °C (dec.) (lit.)
Purity
≥ 95 %
Density
1.35 g/cm3
Storage
Keep in dark place. Sealed in dry. Room temperature.
LogP
-0.35540
Safety Information
Hazards
H302
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-113861188-A | Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor | 2021-08-23 |
| CN-112645924-A | Compound, liquid crystal composition and display device | 2020-12-25 |
| CN-111675626-A | Ionone alkaloid derivative and medical application thereof | 2020-03-19 |
| WO-2021173917-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 2020-02-28 |
| JP-2022007984-A | Ketones or oxime compounds and herbicides | 2020-02-18 |
| CN-111171721-A | Ceramizable ablation-resistant coating and preparation method thereof | 2020-01-22 |
| CN-111171721-B | Ceramizable ablation-resistant coating and preparation method thereof | 2020-01-22 |
| US-2021214366-A1 | Bicyclic heterocycles as fgfr inhibitors | 2020-01-15 |
| WO-2021146424-A1 | Bicyclic heterocycles as fgfr inhibitors | 2020-01-15 |
| CN-110964048-A | Method for recycling organic boric acid waste liquid | 2019-12-18 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22902933 | 2012-11-01 | Molecular structure investigation and spectroscopic studies on 2,3-difluorophenylboronic acid: a combined experimental and theoretical analysis | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
| 5826 | 1975-02-01 | [The meaning of the normal values of the ejaculate for fertility] | Zeitschrift fur Hautkrankheiten |
