2,4,6-Trifluorophenylboronic acid

• CAS: 182482-25-3
• Catalog Number: ACM182482253
• Category: Boronic Acids
• Molecular Weight: 175.9g/mol
• Molecular Formula: C6H4BF3O2
• Synonyms: 2,4,6-TRIFLUOROBENZENEBORONIC ACID;2,4,6-TRIFLUOROPHENYLBORONIC ACID;RARECHEM AH PB 0121;2,4,6-Trifluoronenzeneboronic acid;2,4,6-Trifluorophenylboronic;2,4,6-Trifluorophenylboronic Acid (contains varying aMounts of Anhydride);Trifluorobenzeneboronic aci
• IUPAC Name: (2,4,6-trifluorophenyl)boronic acid
• Canonical SMILES: B(C1=C(C=C(C=C1F)F)F)(O)O
• InChI: InChI=1S/C6H4BF3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,11-12H
• InChI Key: IPEIGKHHSZFAEW-UHFFFAOYSA-N
• Complexity: 146
• Covalently-Bonded Unit Count: 1
• Exact Mass: 176.025644g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 176.025644g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 2,4,6-Trifluorophenylboronic acid?

The molecular formula of 2,4,6-Trifluorophenylboronic acid is C6H4BF3O2.

What is the molecular weight of 2,4,6-Trifluorophenylboronic acid?

The molecular weight of 2,4,6-Trifluorophenylboronic acid is 175.90 g/mol.

What is the IUPAC name of 2,4,6-Trifluorophenylboronic acid?

The IUPAC name of 2,4,6-Trifluorophenylboronic acid is (2,4,6-trifluorophenyl)boronic acid.

What is the InChI of 2,4,6-Trifluorophenylboronic acid?

The InChI of 2,4,6-Trifluorophenylboronic acid is InChI=1S/C6H4BF3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,11-12H.

What is the InChIKey of 2,4,6-Trifluorophenylboronic acid?

The InChIKey of 2,4,6-Trifluorophenylboronic acid is IPEIGKHHSZFAEW-UHFFFAOYSA-N.

What is the canonical SMILES representation of 2,4,6-Trifluorophenylboronic acid?

The canonical SMILES representation of 2,4,6-Trifluorophenylboronic acid is B(C1=C(C=C(C=C1F)F)F)(O)O.

What is the CAS number of 2,4,6-Trifluorophenylboronic acid?

The CAS number of 2,4,6-Trifluorophenylboronic acid is 182482-25-3.

What is the European Community (EC) number of 2,4,6-Trifluorophenylboronic acid?

The European Community (EC) number of 2,4,6-Trifluorophenylboronic acid is 681-558-8.

What is the ChEMBL ID of 2,4,6-Trifluorophenylboronic acid?

The ChEMBL ID of 2,4,6-Trifluorophenylboronic acid is CHEMBL91770.

What is the molecular weight and topological polar surface area of 2,4,6-Trifluorophenylboronic acid?

The molecular weight of 2,4,6-Trifluorophenylboronic acid is 175.90 g/mol and the topological polar surface area is 40.5Ų.

Synthetic Use

Upstream Synthesis Route 1

• 2367-76-2

• 182482-25-3

Reference: [1]Journal of Organometallic Chemistry,2000,vol. 598,p. 127 - 135