3,4-Dichlorophenylboronic Acid
Product Information
Molecular Formula
C6H5Cl2O2B
Molecular Weight
190.82
Description
Reactant involved in: Lithiation/borylation-protodeboronation of homoallyl carbamates; Suzuki coupling reactions. Precursor / reactant involved in synthesis of biologically active molecules including: Mycobacterium tuberculosis H37Rv chorismate mutase inhibitors; Pyrrole derivatives as PDE4B inhibitors; Nitrovinyl biphenyls as anticancer agents; Dual immunosuppressive and anti-inflammatory agents; Pyrazolopyrimidines as Cryptosporidium and Toxoplasma CDPK1 inhibitors.
Synonyms
(3,4-dichlorophenyl)boronic acid; (3,4-dichlorophenyl)boronic acid
IUPAC Name
(3,4-dichlorophenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)Cl)Cl)(O)O
InChI
InChI=1S/C6H5BCl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
InChI Key
JKIGHOARKAIPJI-UHFFFAOYSA-N
Boiling Point
339.2 °C at 760 mmHg
Melting Point
280-285 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.47 g/cm3
LogP
0.67320
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
2
Rotatable Bond Count
1
Exact Mass
189.9759650 g/mol
Monoisotopic Mass
189.9759650 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 |
|---|---|---|
| KR-102352823-B1 | Novel heterocyclic compound and organic light emitting device comprising the same | 2021-11-17 |
| CN-113788846-A | Tricyclic thiazolo [5,4-d ] pyrimidone derivative and application thereof | 2021-10-27 |
| CN-113149908-A | Bixafen synthesis method based on Suzuki reaction | 2021-04-08 |
| CN-112038497-A | Quantum dot light-emitting device, manufacturing method thereof and quantum dot display device | 2020-09-15 |
| US-2022085312-A1 | Quantum dot light emitting device and method for preparing the same, and quantum dot display device | 2020-09-15 |
| 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-2022005976-A2 | Antibacterial picolinamide compounds | 2020-06-29 |
| WO-2021247916-A1 | Azetidine and spiroazetidine compounds and uses thereof | 2020-06-03 |
| CN-111423353-A | Polysubstituted N-arylpyrrole compound and preparation method thereof | 2020-04-29 |
| CN-111995533-A | Nitrogen-containing compound, electronic component, and electronic device | 2020-04-27 |
