Potassium 5-fluoro-2-isonicotinyltrifluoroborate

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Molecular Formula:

C6H3BF4KNO

Molecular Weight:

231.00

Product Information

Molecular Formula:

C6H3BF4KNO

Molecular Weight:

231.00

Description

Potassium acyltrifluroborates (KATs) 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.

IUPAC Name

potassiumtrifluoro-(5-fluoropyridine-2-carbonyl)boranuide

Canonical SMILES

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

InChI

InChI=1S/C6H3BF4NO.K/c8-4-1-2-5(12-3-4)6(13)7(9,10)11/h1-3H/q-1+1

InChI Key

VSMPYOOKQNMZLI-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H315 - H318 - H335

Precautionary Statement

P280 - P302 + P352 - P305 + P351 + P338 + P310

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

230.9880880 g/mol

Monoisotopic Mass

230.9880880 g/mol

Topological Polar Surface Area

30Å²

Heavy Atom Count

Formal Charge

Complexity

213

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)

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Potassium 5-fluoro-2-isonicotinyltrifluoroborate

Product Information

Safety Information

Computed Properties

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