Potassium phenoxymethyltrifluoroborate
Product Information
Molecular Formula
C7H7BF3KO
Molecular Weight
214.03
Description
Organotrifluoroborates as versatile and stable boronic acid surrogates.
Synonyms
potassium; trifluoro(phenoxymethyl)boranuide; POTASSIUMPHENOXY-METHYLTRIFLUOROBORATE; PubChem11600; MLS002705544; CHEMBL2135322
IUPAC Name
potassiumtrifluoro(phenoxymethyl)boranuide
SMILES
[B-](COC1=CC=CC=C1)(F)(F)F.[K+]
InChI
InChI=1S/C7H7BF3O.K/c9-8(10,11)6-12-7-4-2-1-3-5-7;/h1-5H,6H2;/q-1;+1
InChI Key
OVYSNXCRBZPJIG-UHFFFAOYSA-N
Melting Point
>300 °C
Flash Point
Not applicable
Purity
95%
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P261 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
214.0179110 g/mol
Monoisotopic Mass
214.0179110 g/mol
Topological Polar Surface Area
9.2Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
136
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-107001273-B | Pyridine derivatives | 2014-12-05 |
| EP-3228616-A1 | Pyridine derivatives | 2014-12-05 |
| EP-3228616-B1 | Pyridine derivatives | 2014-12-05 |
| ES-2755476-T3 | Pyridine derivatives | 2014-12-05 |
| JP-6626001-B2 | Pyridine derivatives | 2014-12-05 |
| JP-WO2016088864-A1 | Pyridine derivatives | 2014-12-05 |
| US-10005762-B2 | Pyridine derivatives | 2014-12-05 |
| US-2017362209-A1 | Pyridine derivatives | 2014-12-05 |
| WO-2016088864-A1 | Pyridine derivative | 2014-12-05 |
| AU-2013340896-A1 | Pressure process | 2012-10-31 |
