3,5-Difluorophenylboronic acid

• CAS: 156545-07-2
• Catalog Number: ACM156545072
• Category: Boronic Acids
• Molecular Weight: 157.9111
• Molecular Formula: C6H5BF2O2
• Synonyms: Boronic acid, (3,5-difluorophenyl)- (9CI)
• IUPAC Name: (3,5-difluorophenyl)boronic acid
• Canonical SMILES: B(C1=CC(=CC(=C1)F)F)(O)O
• InChI: InChI=1S/C6H5BF2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
• InChI Key: QWQBQRYFWNIDOC-UHFFFAOYSA-N
• Boiling Point: 266.9±50.0 °C
• Melting Point: 210-217 °C
• Density: 1.35±0.1 g/ml
• Appearance: Powder
• Complexity: 124
• 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
• MDL Number: MFCD01318138
• Monoisotopic Mass: 158.035066g/mol
• Rotatable Bond Count: 1
• Size: 5g,25g,100g

Custom Q&A

What is the molecular formula of 3,5-Difluorophenylboronic acid?

The molecular formula is C6H5BF2O2.

What is the molecular weight of 3,5-Difluorophenylboronic acid?

The molecular weight is 157.91 g/mol.

When was 3,5-Difluorophenylboronic acid created in PubChem?

It was created on July 19, 2005.

What is the IUPAC name of 3,5-Difluorophenylboronic acid?

The IUPAC name is (3,5-difluorophenyl)boronic acid.

What is the InChI of 3,5-Difluorophenylboronic acid?

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

What is the InChIKey of 3,5-Difluorophenylboronic acid?

The InChIKey is QWQBQRYFWNIDOC-UHFFFAOYSA-N.

What is the canonical SMILES of 3,5-Difluorophenylboronic acid?

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

What is the CAS number of 3,5-Difluorophenylboronic acid?

The CAS number is 156545-07-2.

What is the hydrogen bond donor count of 3,5-Difluorophenylboronic acid?

The hydrogen bond donor count is 2.

Is 3,5-Difluorophenylboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Downstream Synthesis Route 1

• 588-93-2
• 156545-07-2

• 137528-87-1

Reference: [1]Tetrahedron Letters,1994,vol. 35,p. 3277 - 3280

Downstream Synthesis Route 2

• 156545-07-2

• 2265-91-0

Reference: [1] Catalysis Communications, 2013, vol. 32, p. 15 - 17

Downstream Synthesis Route 3

• 156545-07-2

• 2713-34-0

Reference: [1] European Journal of Organic Chemistry, 2011, # 33, p. 6656 - 6662

Downstream Synthesis Route 4

• 156545-07-2

• 64248-63-1

Reference: [1] Chemistry Letters, 2012, vol. 41, # 7, p. 719 - 721

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