Potassium 1H-pyrazole-5-trifluoroborate

Inquiry

Molecular Formula:

C3H3BF3KN2

Molecular Weight:

173.974

CAS Number:

1013640-87-3

Catalog Number:

1013640-87-3

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

173.9978442 g/mol

Monoisotopic Mass

173.9978442 g/mol

Topological Polar Surface Area

28.7Å²

Heavy Atom Count

Formal Charge

Complexity

108

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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