2,4-Difluorophenylboronic Acid
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
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
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-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 |
