What is the molecular formula of 2,4-Dichlorophenylboronic acid?

The molecular formula of 2,4-Dichlorophenylboronic acid is C6H5BCl2O2.

What is the molecular weight of 2,4-Dichlorophenylboronic acid?

The molecular weight of 2,4-Dichlorophenylboronic acid is 190.82 g/mol.

What is the IUPAC name of 2,4-Dichlorophenylboronic acid?

The IUPAC name of 2,4-Dichlorophenylboronic acid is (2,4-dichlorophenyl)boronic acid.

What is the InChI of 2,4-Dichlorophenylboronic acid?

The InChI of 2,4-Dichlorophenylboronic acid is InChI=1S/C6H5BCl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H.

What is the InChIKey of 2,4-Dichlorophenylboronic acid?

The InChIKey of 2,4-Dichlorophenylboronic acid is QNEGDGPAXKYZHZ-UHFFFAOYSA-N.

What is the canonical SMILES of 2,4-Dichlorophenylboronic acid?

The canonical SMILES of 2,4-Dichlorophenylboronic acid is B(C1=C(C=C(C=C1)Cl)Cl)(O)O.

What is the CAS number of 2,4-Dichlorophenylboronic acid?

The CAS number of 2,4-Dichlorophenylboronic acid is 68716-47-2.

What is the EC Number of 2,4-Dichlorophenylboronic acid?

The EC Number of 2,4-Dichlorophenylboronic acid is 674-975-1.

What is the ChEMBL ID of 2,4-Dichlorophenylboronic acid?

The ChEMBL ID of 2,4-Dichlorophenylboronic acid is CHEMBL20726.

Is 2,4-Dichlorophenylboronic acid a canonicalized compound?

Yes, 2,4-Dichlorophenylboronic acid is a canonicalized compound.

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2,4-Dichlorophenylboronic acid

Name: 2,4-Dichlorophenylboronic acid
SKU: ACM68716472
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Catalog NumberACM68716472

CAS Number68716-47-2

CategorySalt

Synonyms

Boronic acid, B-(2,4-dichlorophenyl)-

IUPAC Name

(2,4-dichlorophenyl)boronic acid

Molecular Weight

190.82

Molecular Formula

C6H5BCl2O2

Canonical SMILES

B(C1=C(C=C(C=C1)Cl)Cl)(O)O

InChI

InChI=1S/C6H5BCl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H

InChI Key

QNEGDGPAXKYZHZ-UHFFFAOYSA-N

Boiling Point

331.3±52.0 °C

Melting Point

246-249 °C (lit.)

Purity

99.5%+

Density

1.47±0.1 g/ml

Application

2,4-Dichlorophenylboronic acid, which appears as a white to off-white powder, serves a crucial role as a reactant in various chemical processes. It is notably used in Suzuki coupling reactions, where it reacts with alkynyl bromides or aniline/thiophenol to form new compounds. Additionally, it is involved in the selective hydroxylation of phenols. This compound is also key in the synthesis of biologically active molecules, such as N-hydroxyindole-2-carboxylates, which function as lactate dehydrogenase inhibitors, and non-ATP competitive MK2 inhibitors, underlining its importance in both chemical synthesis and pharmaceutical applications.

Complexity

134

Covalently-Bonded Unit Count

Exact Mass

189.975965g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

189.975965g/mol

Rotatable Bond Count

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