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Potassium [4-(Dimethylamino)phenyl]trifluoroborate

Potassium [4-(Dimethylamino)phenyl]trifluoroborate

Inquiry

Molecular Formula:

C8H10F3NBK

Molecular Weight:

227.08

CAS Number:

1187951-61-6

Catalog Number:

1187951-61-6

Product Information

Molecular Formula:

C8H10F3NBK

Molecular Weight:

227.08

Description

Reactant for: Suzuki-Miyuara cross-coupling reactions.

Synonyms

potassium;[4-(dimethylamino)phenyl]-trifluoroboranuide; potassium;[4-(dimethylamino)phenyl]-trifluoroboranuide

IUPAC Name

potassium;[4-(dimethylamino)phenyl]-trifluoroboranuide

Canonical SMILES

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

InChI

InChI=1S/C8H10BF3N.K/c1-13(2)8-5-3-7(4-6-8)9(10,11)12;/h3-6H,1-2H3;/q-1;+1

InChI Key

RFFDTHVZSLGINK-UHFFFAOYSA-N

Melting Point

>300 °C

Flash Point

Not applicable

LogP

1.80700

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

227.0495455 g/mol

Monoisotopic Mass

227.0495455 g/mol

Topological Polar Surface Area

3.2Å²

Heavy Atom Count

Formal Charge

Complexity

167

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
US-9908819-B1	Printing method for production a ceramic green body	2012-10-31

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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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