2,4-Dichlorophenylboronic acid

• CAS: 68716-47-2
• Catalog Number: ACM68716472-1
• Category: Boronic Acids
• Molecular Weight: 190.82
• Molecular Formula: C6H5BCl2O2
• Synonyms: Boronic acid, B-(2,4-dichlorophenyl)-
• IUPAC Name: (2,4-dichlorophenyl)boronic acid
• 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.)
• Density: 1.47±0.1 g/ml
• Complexity: 134
• Covalently-Bonded Unit Count: 1
• Exact Mass: 189.975965g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 189.975965g/mol
• Rotatable Bond Count: 1

Custom Q&A

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.

Synthetic Use

Downstream Synthesis Route 1

• 68716-47-2

• 1435-48-9

Reference: [1]Tetrahedron,1992,vol. 48,p. 8073 - 8088

Downstream Synthesis Route 2

• 952206-28-9
• 68716-47-2

• 952206-34-7

Reference: [1]Patent: WO2007/113226,2007,A1 .Location in patent: Page/Page column 91-92

Downstream Synthesis Route 3

• 944401-72-3
• 68716-47-2

• 952206-43-8

Reference: [1]Patent: WO2007/113226,2007,A1 .Location in patent: Page/Page column 102-103

Downstream Synthesis Route 4

• 68716-47-2

• 1435-48-9

Reference: [1] Tetrahedron, 1992, vol. 48, # 37, p. 8073 - 8088

* For details of the synthesis route, please refer to the original source to ensure accuracy.