Potassium 3-Butenyltrifluoroborate

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Molecular Formula:

C4H7F3BK

Molecular Weight:

162.00

CAS Number:

608140-67-6

Catalog Number:

608140-67-6

Product Information

Molecular Formula:

C4H7F3BK

Molecular Weight:

162.00

Description

Organotrifluoroborate involved in: Catalytic allylboration; Stereoselective nucleophilic addition; Pd-catalyzed heterocyclizations; Oxidation reactions and Oxidative Mannich reactions; Cross-coupling reactionsOrganotrifluoroborates as versatile and stable boronic acid surrogates.

Synonyms

potassium;but-3-enyl(trifluoro)boranuide; potassium;but-3-enyl(trifluoro)boranuide

IUPAC Name

potassium;but-3-enyl(trifluoro)boranuide

Canonical SMILES

[B-](CCC=C)(F)(F)F.[K+]

InChI

InChI=1S/C4H7BF3.K/c1-2-3-4-5(6,7)8;/h2H,1,3-4H2;/q-1;+1

InChI Key

UPXWGXKSNOQOKH-UHFFFAOYSA-N

Melting Point

>300 °C

Purity

90 %

LogP

2.40990

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

162.0229964 g/mol

Monoisotopic Mass

162.0229964 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

80.4

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 3-Butenyltrifluoroborate

Product Information

Computed Properties

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