Potassium nicotinoyltrifluoroborate

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Molecular Formula:

C6H4BF3KNO

Molecular Weight:

213.01

CAS Number:

1622923-57-2

Catalog Number:

1622923-57-2

Product Information

Molecular Formula:

C6H4BF3KNO

Molecular Weight:

213.01

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(pyridine-3-carbonyl)boranuide

Canonical SMILES

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

InChI

InChI=1S/C6H4BF3NO.K/c8-7(9,10)6(12)5-2-1-3-11-4-5/h1-4H/q-1+1

InChI Key

ZDBUGWQAJRQFIT-UHFFFAOYSA-N

Melting Point

250 °C

Flash Point

Not applicable

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

212.9975099 g/mol

Monoisotopic Mass

212.9975099 g/mol

Topological Polar Surface Area

30Å²

Heavy Atom Count

Formal Charge

Complexity

187

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 nicotinoyltrifluoroborate

Product Information

Safety Information

Computed Properties

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