3,4-Dichlorophenylboronic acid

• CAS: 151169-75-4
• Catalog Number: ACM151169754
• Category: Boronic Acids
• Molecular Weight: 190.82
• Molecular Formula: C6H5BCl2O2
• Synonyms: B-(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±52.0 °C
• Melting Point: 280-285 °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 3,4-Dichlorophenylboronic acid?

The molecular formula is C6H5BCl2O2.

What is the molecular weight of 3,4-Dichlorophenylboronic acid?

The molecular weight is 190.82 g/mol.

What is the IUPAC name of 3,4-Dichlorophenylboronic acid?

The IUPAC name is (3,4-dichlorophenyl)boronic acid.

What is the InChI of 3,4-Dichlorophenylboronic acid?

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

What is the InChIKey of 3,4-Dichlorophenylboronic acid?

The InChIKey is JKIGHOARKAIPJI-UHFFFAOYSA-N.

What is the canonical SMILES of 3,4-Dichlorophenylboronic acid?

The canonical SMILES is B(C1=CC(=C(C=C1)Cl)Cl)(O)O.

What is the CAS number of 3,4-Dichlorophenylboronic acid?

The CAS number is 151169-75-4.

What is the EC number of 3,4-Dichlorophenylboronic acid?

The EC number is 629-198-2.

What is the ChEMBL ID of 3,4-Dichlorophenylboronic acid?

The ChEMBL ID is CHEMBL20776.

Is 3,4-Dichlorophenylboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Downstream Synthesis Route 1

• 1435-50-3
• 151169-75-4

• 32598-11-1

Reference: [1]Chemosphere,2004,vol. 56,p. 735 - 744

Downstream Synthesis Route 2

• 20555-91-3
• 151169-75-4

• 32598-13-3

Reference: [1]Kania-Korwel, Izabela; Parkin, Sean; Robertson, Larry W.; Lehmler, Hans-Joachim [Chemosphere, 2004, vol. 56, # 8, p. 735 - 744]

Downstream Synthesis Route 3

• 6011-14-9
• 151169-75-4

• 3218-49-3

Reference: [1] Angewandte Chemie - International Edition, 2014, vol. 53, # 39, p. 10510 - 10514[2] Angew. Chem., 2014, vol. 126, # 39, p. 10678 - 10682,5

Downstream Synthesis Route 4

• 105-56-6
• 151169-75-4

• 2642-63-9

Reference: [1] New Journal of Chemistry, 2015, vol. 39, # 11, p. 8763 - 8770

Downstream Synthesis Route 5

• 53547-61-8
• 151169-75-4

• 2039-83-0
• 32598-13-3

Reference: [1] Organic Process Research and Development, 2009, vol. 13, # 3, p. 420 - 428

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