POTASSIUM (4-CARBOXYPHENYL)TRIFLUOROBORATE

Inquiry

Molecular Formula:

C7H5BF3KO2

Molecular Weight:

228.02

CAS Number:

850623-38-0

Catalog Number:

850623-38-0

Product Information

Molecular Formula:

C7H5BF3KO2

Molecular Weight:

228.02

Description

POTASSIUM (4-CARBOXYPHENYL)TRIFLUOROBORATE is an indispensable component extensively employed in the biomedical field. It showcases remarkable versatility as a reagent in organic synthesis and catalysis. Its pivotal role in pharmaceutical drug manufacturing, notably targeting a plethora of maladies such as cancers, infections, and cardiovascular afflictions, exemplifies its invaluable significance. Its distinctive characteristics render it a paramount instrument wielded by medicinal chemists and drug discovery scientists.

Synonyms

POTASSIUM (4-CARBOXYPHENYL)TRIFLUOROBORATE; POTASSIUM (4-CARBOXYPHENY)TRIFLUOROBORATE

IUPAC Name

potassium(4-carboxyphenyl)-trifluoroboranuide

Canonical SMILES

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

InChI

InChI=1S/C7H5BF3O2.K/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)/q-1+1

InChI Key

NMZCPMQLYMSRAD-UHFFFAOYSA-N

Melting Point

>300 °C

Purity

97%

Safety Information

Hazards

H315-H319-H335

Precautionary Statement

P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

227.9971755 g/mol

Monoisotopic Mass

227.9971755 g/mol

Topological Polar Surface Area

37.3Å²

Heavy Atom Count

Formal Charge

Complexity

202

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
CN-109020779-B	Method for reducing carbonyl into alcohol under room-temperature air atmosphere	2018-09-04
US-2016052942-A1	Trifluoroborate mass spectrometric tags	2013-03-27
US-2016333029-A1	Trifluoroborate mass spectrometric tags	2013-03-27
US-9346833-B2	Trifluoroborate mass spectrometric tags	2013-03-27
US-9518067-B2	Trifluoroborate mass spectrometric tags	2013-03-27
WO-2014160739-A2	Trifluoroborate mass spectrometric tags	2013-03-27
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

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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