2,4-Difluorophenylboronic acid

• CAS: 144025-03-6
• Catalog Number: ACM144025036
• Category: Boronic Acids
• Molecular Weight: 157.91
• Molecular Formula: C6H5BF2O2
• Synonyms: Boronic acid, B-(2,4-difluorophenyl)-
• IUPAC Name: (2,4-difluorophenyl)boronic acid
• SMILES: B(C1=C(C=C(C=C1)F)F)(O)O
• InChI: InChI=1S/C6H5BF2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
• InChI Key: QQLRSCZSKQTFGY-UHFFFAOYSA-N
• Boiling Point: 251.0±50.0 °C
• Melting Point: 247-250 °C (lit.)
• Density: 1.35±0.1 g/ml
• Complexity: 134
• Covalently-Bonded Unit Count: 1
• Exact Mass: 158.035066g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 158.035066g/mol
• Rotatable Bond Count: 1

Custom Q&A

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

The molecular formula is C6H5BF2O2.

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

The molecular weight is 157.91 g/mol.

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

The IUPAC name is (2,4-difluorophenyl)boronic acid.

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

The InChI is InChI=1S/C6H5BF2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H.

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

The InChIKey is QQLRSCZSKQTFGY-UHFFFAOYSA-N.

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

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

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

The CAS number is 144025-03-6.

How many hydrogen bond donor counts does 2,4-Difluorophenylboronic acid have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2,4-Difluorophenylboronic acid have?

It has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 2,4-Difluorophenylboronic acid?

The topological polar surface area is 40.5Ų.

Synthetic Use

Upstream Synthesis Route 1

• 121-43-7
• 144025-04-7

• 144025-03-6

Reference: [1] Patent: US5312975, 1994, A,

Upstream Synthesis Route 2

• 109-86-4

• 144025-03-6

Reference: [1] Patent: US2016/164006, 2016, A1,

Downstream Synthesis Route 1

• 89-55-4
• 144025-03-6

• 22494-42-4

Reference: [1]Chemistry of Heterocyclic Compounds,2017,vol. 53,p. 1340 - 1349

Downstream Synthesis Route 2

• 144025-03-6

• 367-27-1

Reference: [1] Applied Catalysis A: General, 2018, vol. 562, p. 58 - 66

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