3-Chloro-4-fluorophenylboronic Acid
Product Information
Molecular Formula
C6H5ClFO2B
Molecular Weight
174.37
Description
Reactant for: Rh-catalyzed asymmetric addition reactions; Palladium-catalyzed oxidative cross-coupling reaction; Suzuki-Miyaura coupling.
Synonyms
(3-chloro-4-fluorophenyl)boronic acid; (3-chloro-4-fluorophenyl)boronic acid
IUPAC Name
(3-chloro-4-fluorophenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)F)Cl)(O)O
InChI
InChI=1S/C6H5BClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,10-11H
InChI Key
WJDZZXIDQYKVDG-UHFFFAOYSA-N
Boiling Point
306 °C at 760 mmHg
Melting Point
242-247 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.41 g/cm3
LogP
0.15890
Safety Information
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
3
Rotatable Bond Count
1
Exact Mass
174.0055154 g/mol
Monoisotopic Mass
174.0055154 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
136
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-113788846-A | Tricyclic thiazolo [5,4-d ] pyrimidone derivative and application thereof | 2021-10-27 |
| CN-113861188-A | Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor | 2021-08-23 |
| CN-113831335-A | Pyridine [2,3-d ] pyrimidine-4- (3H) -ketone compound and preparation method and application thereof | 2020-06-24 |
| WO-2021203025-A1 | 1 h-pyrazolo[4,3-g]isoquinoline and 1 h-pyrazolo[4,3-g]quinoline derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) | 2020-04-03 |
| CN-113493420-A | EGFR tyrosine kinase inhibitor and application thereof | 2020-03-18 |
| WO-2021185298-A1 | Egfr tyrosine kinase inhibitor and use thereof | 2020-03-18 |
| 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 |
| CN-113121528-A | Multi-target inhibition compound, composition, functional molecule and application thereof | 2020-01-15 |
