POTASSIUM (4-CARBOXYPHENYL)TRIFLUOROBORATE
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
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
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
227.9971755 g/mol
Monoisotopic Mass
227.9971755 g/mol
Topological Polar Surface Area
37.3Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
202
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 |
|---|---|---|
| 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 |
