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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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