Potassium 4-fluorobenzoyltrifluoroborate

Inquiry

Molecular Formula:

C7H4BF4KO

Molecular Weight:

230.01

CAS Number:

1590389-14-2

Catalog Number:

1590389-14-2

Product Information

Molecular Formula:

C7H4BF4KO

Molecular Weight:

230.01

Description

Potassium 4-fluorobenzoyltrifluoroborate may be used in the synthesis of MIDA (N-methyliminodiacetic acid) 4-fluorobenzoylboronate. It may also be used in the synthesis of potassium O-(4-benzoyltrifluoroborate)-O'-methylpolyethylene glycols of varying molecular weights.
Potassium Acyltrifluroborates (KAT's) are bench, air, and moisture stable reagents for rapid, chemoselective amide bond formations with hydroxylamines. These amide bond forming reactions proceed under aqueous conditions, without the need for coupling reagents or protecting groups. This product was introduced in collaboration with the Bode Research Group.

Synonyms

Potassium trifluoro(4-fluorobenzoyl)borate

IUPAC Name

potassiumtrifluoro-(4-fluorobenzoyl)boranuide

Canonical SMILES

[B-](C(=O)C1=CC=C(C=C1)F)(F)(F)F.[K+]

InChI

InChI=1S/C7H4BF4O.K/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H/q-1+1

InChI Key

LOYMDZPOAVQAJV-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

229.9928390 g/mol

Monoisotopic Mass

229.9928390 g/mol

Topological Polar Surface Area

17.1Å²

Heavy Atom Count

Formal Charge

Complexity

200

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

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

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

Potassium 4-fluorobenzoyltrifluoroborate

Product Information

Safety Information

Computed Properties

Related Products