Potassium 3-(trifluoromethyl)phenyltrifluoroborate

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Product Information

Molecular Formula:
C7H4BF6K
Molecular Weight:
252.01
Description
Boron trifluoroboronate for Suzuki coupling
Synonyms
potassium; trifluoro-[3-(trifluoromethyl)phenyl]boranuide; Potassium trifluoro(3-(trifluoromethyl)phenyl)borate; potassium trifluoro[3-(trifluoromethyl)phenyl]boranuide; Potassium3-(trifluoromethyl)phenyltrifluoroborate; A916380; Potassium 3-(trifluoromethyl)phenyltrifluoroborate, 97%; Potassium trifluoro[3-(trifluoromethyl)phenyl]borate(1-)
IUPAC Name
potassiumtrifluoro-[3-(trifluoromethyl)phenyl]boranuide
Canonical SMILES
[B-](C1=CC(=CC=C1)C(F)(F)F)(F)(F)F.[K+]
InChI
InChI=1S/C7H4BF6.K/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H/q-1+1
InChI Key
VNFBYJSMNAFXDW-UHFFFAOYSA-N
Melting Point
228.2-230.7 °C
Purity
97%

Safety Information

Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
0
Exact Mass
251.9947308 g/mol
Monoisotopic Mass
251.9947308 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
201
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
EP-2723701-A1 Processes for preparing phosphorus-containing alpha- and beta-amino acids and derivatives thereof 2011-06-24
FR-2976940-A1 PROCESS FOR PREPARING ALPHA- AND BETA-AMINOPHOSPHORUS ACID AND DERIVATIVES THEREOF 2011-06-24
WO-2012175837-A1 Processes for preparing phosphorus-containing α- and β-amino acids and derivatives thereof 2011-06-24
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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