POTASSIUM 3-CARBOXYPHENYLTRIFLUOROBORAT&
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
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
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
210
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 |
|---|---|---|
| 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 |
