3,4-Difluorophenylboronic Acid
Product Information
Molecular Formula
C6H5F2O2B
Molecular Weight
157.91
Description
Reactant involved in: Suzuki cross-coupling reactions with aryl and heteroaryl halides; Oxo directing Liebeskind-Srogl cross-coupling reactions with gem-dihaloolefin-type α-oxo ketene dithioacetals; Substitution reactions with enyne acetates and carbonates.
Synonyms
(3,4-difluorophenyl)boronic acid; (3,4-difluorophenyl)boronic acid
IUPAC Name
(3,4-difluorophenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)F)F)(O)O
InChI
InChI=1S/C6H5BF2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
InChI Key
RMGYQBHKEWWTOY-UHFFFAOYSA-N
Boiling Point
265.4 °C / 760 mmHg
Melting Point
305-310 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.354 g/cm3
Storage
Keep in dark place. Sealed in dry. Room temperature.
LogP
-0.35540
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
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-112939881-A | Bi-component organic room temperature phosphorescent material and preparation method thereof | 2021-02-19 |
| WO-2022048684-A1 | Jnk inhibitor, pharmaceutical composition thereof and use thereof | 2020-09-07 |
| WO-2022026892-A1 | Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers | 2020-07-31 |
| WO-2022023339-A1 | Aryl substituted pyrrolo-pyridinones and therapeutic uses thereof | 2020-07-29 |
| CN-111518058-A | Oxathiazine compound and application thereof | 2020-05-29 |
| CN-111518058-B | Oxathiazine compound and application thereof | 2020-05-29 |
| CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| WO-2021238587-A1 | Micromolecular oxathiazine derivative and use thereof | 2020-05-29 |
| WO-2021238588-A1 | Oxathiazine compound and use thereof | 2020-05-29 |
