2,3-Difluorophenylboronic acid

• CAS: 121219-16-7
• Catalog Number: ACM121219167
• Category: Boronic Acids
• Molecular Weight: 157.91g/mol
• Molecular Formula: C6H5BF2O2
• Synonyms: RARECHEM AH PB 0166;2,3-DIFLUOROPHENYLBORONIC ACID;2,3-DIFLUOROBENZENEBORONIC ACID;2,3-FLUOROBENZENE BORONIC ACID;2,3-Difluorophenylboronic acid, 97+%;2,3-Difluorobenzeneboronic acid 98%;2,3-Difluorobenzeneboronicacid98%;2,3-Difluorophenylboronic Acid (co
• IUPAC Name: (2,3-difluorophenyl)boronic acid
• Canonical SMILES: B(C1=C(C(=CC=C1)F)F)(O)O
• InChI: InChI=1S/C6H5BF2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H
• InChI Key: SZYXKFKWFYUOGZ-UHFFFAOYSA-N
• Complexity: 134
• Covalently-Bonded Unit Count: 1
• EC Number: 601-759-6
• 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 2,3-Difluorophenylboronic acid?

The molecular formula of 2,3-Difluorophenylboronic acid is C6H5BF2O2.

What is the molecular weight of 2,3-Difluorophenylboronic acid?

The molecular weight of 2,3-Difluorophenylboronic acid is 157.91 g/mol.

What is the IUPAC name of 2,3-Difluorophenylboronic acid?

The IUPAC name of 2,3-Difluorophenylboronic acid is (2,3-difluorophenyl)boronic acid.

What is the InChI of 2,3-Difluorophenylboronic acid?

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

What is the InChIKey of 2,3-Difluorophenylboronic acid?

The InChIKey of 2,3-Difluorophenylboronic acid is SZYXKFKWFYUOGZ-UHFFFAOYSA-N.

What is the canonical SMILES of 2,3-Difluorophenylboronic acid?

The canonical SMILES of 2,3-Difluorophenylboronic acid is B(C1=C(C(=CC=C1)F)F)(O)O.

What is the CAS number of 2,3-Difluorophenylboronic acid?

The CAS number of 2,3-Difluorophenylboronic acid is 121219-16-7.

What is the EC number of 2,3-Difluorophenylboronic acid?

The EC number of 2,3-Difluorophenylboronic acid is 601-759-6.

What is the DSSTox Substance ID of 2,3-Difluorophenylboronic acid?

The DSSTox Substance ID of 2,3-Difluorophenylboronic acid is DTXSID90370224.

Is 2,3-Difluorophenylboronic acid a canonicalized compound?

Yes, 2,3-Difluorophenylboronic acid is a canonicalized compound.

Synthetic Use

Downstream Synthesis Route 1

• 121219-16-7

• 6418-38-8

Reference: [1]Marck, Guy; Villiger, Alois; Buchecker, Richard [Tetrahedron Letters, 1994, vol. 35, # 20, p. 3277 - 3280]

Downstream Synthesis Route 2

• 121219-16-7
• 360575-29-7

• 861218-24-8

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 2998 - 3001

Downstream Synthesis Route 3

• 33192-09-5
• 121219-16-7

• 21524-39-0

Reference: [1] Journal of Sulfur Chemistry, 2018, vol. 39, # 5, p. 507 - 515

Downstream Synthesis Route 4

• 121219-16-7

• 21524-39-0

Reference: [1] Journal of Sulfur Chemistry, 2018, vol. 39, # 5, p. 507 - 515

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