2,6-Difluorophenylboronic acid

• CAS: 162101-25-9
• Catalog Number: ACM162101259
• Category: Boronic Acids
• Molecular Weight: 157.91g/mol
• Molecular Formula: C6H5BF2O2
• Synonyms: TIMTEC-BB SBB003736;RARECHEM AH PB 0164;RARECHEM AH PB 0108;CHEMBRDG-BB 3200972;AKOS BRN-0261;AKOS BRN-0146;2,6-DIMETHOXYBENZENEBORONIC ACID;2,6-DIFLUORO PHENYLBORIC ACID
• IUPAC Name: (2,6-difluorophenyl)boronic acid
• SMILES: B(C1=C(C=CC=C1F)F)(O)O
• InChI: InChI=1S/C6H5BF2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
• InChI Key: DBZAICSEFBVFHL-UHFFFAOYSA-N
• 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
• Monoisotopic Mass: 158.035066g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 2,6-Difluorophenylboronic acid?

The molecular formula of 2,6-Difluorophenylboronic acid is C6H5BF2O2.

What is the molecular weight of 2,6-Difluorophenylboronic acid?

The molecular weight of 2,6-Difluorophenylboronic acid is 157.91 g/mol.

What is the IUPAC name of 2,6-Difluorophenylboronic acid?

The IUPAC name of 2,6-Difluorophenylboronic acid is (2,6-difluorophenyl)boronic acid.

What is the InChI of 2,6-Difluorophenylboronic acid?

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

What is the InChIKey of 2,6-Difluorophenylboronic acid?

The InChIKey of 2,6-Difluorophenylboronic acid is DBZAICSEFBVFHL-UHFFFAOYSA-N.

What is the canonical SMILES of 2,6-Difluorophenylboronic acid?

The canonical SMILES of 2,6-Difluorophenylboronic acid is B(C1=C(C=CC=C1F)F)(O)O.

What is the CAS number of 2,6-Difluorophenylboronic acid?

The CAS number of 2,6-Difluorophenylboronic acid is 162101-25-9.

What is the European Community (EC) number of 2,6-Difluorophenylboronic acid?

The European Community (EC) number of 2,6-Difluorophenylboronic acid is 627-874-1.

What is the DSSTox Substance ID of 2,6-Difluorophenylboronic acid?

The DSSTox Substance ID of 2,6-Difluorophenylboronic acid is DTXSID70370227.

Is 2,6-Difluorophenylboronic acid a canonicalized compound?

Yes, 2,6-Difluorophenylboronic acid is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 7732-18-5

• 162101-25-9

Reference: [1] Journal of the Brazilian Chemical Society, 2018, vol. 29, # 9, p. 1777 - 1785

Downstream Synthesis Route 1

• 19524-06-2
• 162101-25-9

• 100325-47-1

Reference: [1]Current Patent Assignee: MERCK & CO INC - WO2003/93272, 2003, A1 Location in patent: Page/Page column 34-35

Downstream Synthesis Route 2

• 162101-25-9
• 57381-39-2

• 624741-93-1

Reference: [1]Patent: WO2003/99816,2003,A1 .Location in patent: Page 70

Downstream Synthesis Route 3

• 328918-33-8
• 247940-06-3
• 162101-25-9
• 328918-90-7

• 328919-14-8

Reference: [1]Patent: US6417212,2002,B1

Downstream Synthesis Route 4

• 162101-25-9

• 28177-48-2

Reference: [1] Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals, 2002, vol. 373, p. 1 - 15

Downstream Synthesis Route 5

• 162101-25-9

• 104197-13-9

Reference: [1] Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals, 2002, vol. 373, p. 1 - 15

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