Potassium 1H-pyrazole-5-trifluoroborate
Product Information
Molecular Formula
C3H3BF3KN2
Molecular Weight
173.974
Description
An Organotrifluoroborate involved in Suzuki-Miyaura cross-coupling reactionsOrganotrifluoroborates as versatile and stable boronic acid surrogates.
Synonyms
Potassium 1H-pyrazole-5-trifluoroborate,Potassium pyrazole-5-trifluoroborate
IUPAC Name
potassiumtrifluoro(1H-pyrazol-5-yl)boranuide
SMILES
[B-](C1=CC=NN1)(F)(F)F.[K+]
InChI
InChI=1S/C3H3BF3N2.K/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9)/q-1+1
InChI Key
QNHYBMZHGRWURK-UHFFFAOYSA-N
Melting Point
196-200 °C
Flash Point
Not applicable
Purity
95%
Safety Information
Hazards
H302 - H315 - H319
Precautionary Statement
P301 + P312 + P330 - P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
173.9978442 g/mol
Monoisotopic Mass
173.9978442 g/mol
Topological Polar Surface Area
28.7Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
108
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-2016354661-A1 | Substituted tricyclic 1,4-benzodiazepinone derivatives as allosteric modulators of group II metabotropic glutamate receptors | 2015-11-13 |
| CA-3004680-A1 | Substituted tricyclic 1,4-benzodiazepinone derivatives as allosteric modulators of group ii metabotropic glutamate receptors | 2015-11-13 |
| EP-3374360-A1 | Substituted tricyclic 1,4-benzodiazepinone derivatives as allosteric modulators of group ii metabotropic glutamate receptors | 2015-11-13 |
| JP-2019504108-A | Substituted tricyclic 1,4-benzodiazepinone derivatives as allosteric modulators of group II metabotropic glutamate receptors | 2015-11-13 |
| KR-20180097542-A | Substituted tricyclic 1,4-benzodiazepinone derivatives as allosteric modulators of Group II metabotropic glutamate receptors | 2015-11-13 |
| US-2018346468-A1 | Substituted tricyclic 1,4-benzodiazepinone derivatives as allosteric modulators of group ii metabotropic glutamate receptors | 2015-11-13 |
| WO-2017081483-A1 | Substituted tricyclic 1,4-benzodiazepinone derivatives as allosteric modulators of group ii metabotropic glutamate receptors | 2015-11-13 |
| AU-2016354661-B2 | Substituted tricyclic 1,4-benzodiazepinone derivatives as allosteric modulators of group II metabotropic glutamate receptors | 2015-11-13 |
| US-11008323-B2 | Substituted tricyclic 1,4-benzodiazepinone derivatives as allosteric modulators of group II metabotropic glutamate receptors | 2015-11-13 |
| CN-108834415-B | Substituted tricyclic 1, 4-benzodiazepine derivatives as allosteric modulators of group II metabotropic glutamate receptors | 2015-11-13 |
