Potassium benzofurazan-5-trifluoroborate

Inquiry

Molecular Formula:

C6H3BF3KN2O

Molecular Weight:

226.01

CAS Number:

1225608-24-1

Catalog Number:

1225608-24-1

Product Information

Molecular Formula:

C6H3BF3KN2O

Molecular Weight:

226.01

Description

Organotrifluoroborate invovled in copper-mediated cross-coupling and Suzuki cross-couplingOrganotrifluoroborates as versatile and stable boronic acid surrogates.

Synonyms

Potassium benzo[c][1,2,5]oxadiazole-5-trifluoroborate

IUPAC Name

potassium2,1,3-benzoxadiazol-5-yl(trifluoro)boranuide

Canonical SMILES

[B-](C1=CC2=NON=C2C=C1)(F)(F)F.[K+]

InChI

InChI=1S/C6H3BF3N2O.K/c8-7(9,10)4-1-2-5-6(3-4)12-13-11-5/h1-3H/q-1+1

InChI Key

VVXGHNBCIPLVLI-UHFFFAOYSA-N

Melting Point

>300 °C

Flash Point

Not applicable

Purity

96%

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

225.9927589 g/mol

Monoisotopic Mass

225.9927589 g/mol

Topological Polar Surface Area

38.9Å²

Heavy Atom Count

Formal Charge

Complexity

206

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

Patents

Publication Number	Title	Priority Date
AU-2013340896-A1	Pressure process	2012-10-31
AU-2013340896-A2	Pressure process	2012-10-31
AU-2013340896-B2	Pressure process	2012-10-31
EP-2914563-A1	Pressure process	2012-10-31
KR-20150076164-A	Printing method	2012-10-31
US-9908819-B1	Printing method for production a ceramic green body	2012-10-31
WO-2014067990-A1	Pressure process	2012-10-31
ES-2891096-T3	Printing procedure	2012-10-31

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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