What is the molecular formula of 3,4,5-Trifluorophenylboronic acid?

The molecular formula is C6H4BF3O2.

What is the molecular weight of 3,4,5-Trifluorophenylboronic acid?

The molecular weight is 175.90 g/mol.

What is the IUPAC name of 3,4,5-Trifluorophenylboronic acid?

The IUPAC name is (3,4,5-trifluorophenyl)boronic acid.

What is the InChI of 3,4,5-Trifluorophenylboronic acid?

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

What is the InChIKey of 3,4,5-Trifluorophenylboronic acid?

The InChIKey is UHDDEIOYXFXNNJ-UHFFFAOYSA-N.

What is the canonical SMILES of 3,4,5-Trifluorophenylboronic acid?

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

What is the molecular weight, hydrogen bond donor count, and hydrogen bond acceptor count of 3,4,5-Trifluorophenylboronic acid?

The molecular weight is 175.90 g/mol, the hydrogen bond donor count is 2, and the hydrogen bond acceptor count is 5.

NAVIGATION

Products

3,4,5-Trifluorophenylboronic acid

Name: 3,4,5-Trifluorophenylboronic acid
SKU: ACM143418499-2
Rating: 5 (1 reviews)

PRICE INQUIRY

Catalog NumberACM143418499-2

CAS Number143418-49-9

CategorySalt

Synonyms

AKOS BRN-0138;3,4,5-TRIFLUOROPHENYLBORONIC ACID;3,4,5-TRIFLUOROBENZENEBORONIC ACID;3,4,5-Trifluophenylboronic acid
;3,4,5-Trifluorobenzeneboronic acid 97%;3,4,5-Trifluorobenzeneboronicacid97%;3,4,5-TRIFLUOROPHENYLBORONIC ACID MIN 96% HPLC;3,4,5-TRIFLUOROP

IUPAC Name

(3,4,5-trifluorophenyl)boronic acid

Molecular Weight

175.9g/mol

Molecular Formula

C6H4BF3O2

Canonical SMILES

B(C1=CC(=C(C(=C1)F)F)F)(O)O

InChI

InChI=1S/C6H4BF3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H

InChI Key

UHDDEIOYXFXNNJ-UHFFFAOYSA-N

Application

3,4,5-Trifluorophenylboronic acid, available as a tan powder, serves as a versatile intermediate in the synthesis of liquid crystals. This arylboronic acid is crucial in organic synthesis, functioning as a reaction reagent and catalyst. It facilitates the direct amidation of amino acid derivatives and supports the direct polycondensation of carboxylic acids with amines. Additionally, it aids in the formation of new 1:1 co-crystals when combined with urea, demonstrating its broad utility in chemical synthesis.

Complexity

146

Covalently-Bonded Unit Count

EC Number

604-355-8

Exact Mass

176.025644g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

176.025644g/mol

Rotatable Bond Count