POTASSIUM SEC-BUTYLTRIFLUOROBORATE

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Molecular Formula:

C4H9BF3K

Molecular Weight:

164.02

CAS Number:

958449-00-8

Catalog Number:

958449-00-8

Product Information

Molecular Formula:

C4H9BF3K

Molecular Weight:

164.02

Description

Organotrifluoroborate involved in direct alkylation of heteroaryls and Suzuki cross-couplingOrganotrifluoroborates as versatile and stable boronic acid surrogates.

Synonyms

POTASSIUM SEC-BUTYLTRIFLUOROBORATE

IUPAC Name

potassiumbutan-2-yl(trifluoro)boranuide

Canonical SMILES

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

InChI

InChI=1S/C4H9BF3.K/c1-3-4(2)5(6,7)8/h4H,3H2,1-2H3/q-1+1

InChI Key

WOHBSAAEEGTTTL-UHFFFAOYSA-N

Melting Point

>300°C

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

164.0386464 g/mol

Monoisotopic Mass

164.0386464 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

72.7

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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Concentration _(final)

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POTASSIUM SEC-BUTYLTRIFLUOROBORATE

Product Information

Computed Properties

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