POTASSIUM 3-CARBOXYPHENYLTRIFLUOROBORAT&

Inquiry

Molecular Formula:

C7H5BF3KO2

Molecular Weight:

228.02

CAS Number:

850313-91-6

Catalog Number:

850313-91-6

Product Information

Molecular Formula:

C7H5BF3KO2

Molecular Weight:

228.02

Description

Organotrifluoroborate involved in cross-coupling reactions with halopurinesOrganotrifluoroborates as versatile and stable boronic acid surrogates.

Synonyms

Potassium 3-carboxyphenyltrifluoroborate; Potassium (3-carboxyphenyl)trifluoroborate; potassium; (3-carboxyphenyl)-trifluoroboranuide; potassium (3-carboxyphenyl)trifluoroboranuide; POTASSIUM 3-CARBOXYPHENYLTRIFLUOROBORAT&; Potassium 3-carboxyphenyltrifluoroborate, 97%; Potassium (3-carboxyphenyl)(trifluoro)borate(1-)

IUPAC Name

potassium(3-carboxyphenyl)-trifluoroboranuide

Canonical SMILES

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

InChI

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

InChI Key

LKEMWADDENRLDB-UHFFFAOYSA-N

Melting Point

>300 °C

Purity

97%

Appearance

White to tan solid

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

210

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
JP-2016500645-A	Printing method	2012-10-31
JP-6353455-B2	Printing method	2012-10-31
KR-102104692-B1	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
US-2012149693-A1	Therapeutic compounds	2009-05-05

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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