Potassium 3-(trifluoromethyl)phenyltrifluoroborate
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
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 |
