2,3,4,5-Tetrafluorophenylboronic Acid

Product Information

Molecular Formula:
C6H3O2BF4
Molecular Weight:
193.89
Description
Reactant for:• Base-catalyzed hydrodeboration and deuterodeborationCatalyst for:• Amidation reactions
Synonyms
2,3,4,5-TETRAFLUOROBENZENEBORONIC ACID; 2,3,4,5-TETRAFLUOROPHENYLBORONIC ACID
IUPAC Name
(2,3,4,5-tetrafluorophenyl)boronic acid
Canonical SMILES
B(C1=CC(=C(C(=C1F)F)F)F)(O)O
InChI
InChI=1S/C6H3BF4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1,12-13H
InChI Key
GXGSBMNUHWAXHP-UHFFFAOYSA-N
Boiling Point
257.6°C at 760mmHg
Melting Point
264-269°C
Flash Point
Not applicable
Purity
95%
Density
1.53g/cm3
Appearance
White to tan solid, powder crystals, crystalline powder and/or chunks

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
194.0162221 g/mol
Monoisotopic Mass
194.0162221 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
182
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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