Potassium Benzyltrifluoroborate

Product Information

Molecular Formula:
C7H7F3BK
Molecular Weight:
198.03
Description
Organotrifluoroborate involved in: Oxidation; Ritter-type amidation with nitriles; Photo-allylation / photo-benzylation of carbonyl compounds; Stereoselective nucleophilic addition; Suzuki cross-couplingOrganotrifluoroborates as versatile and stable boronic acid surrogates.
Synonyms
potassium;trifluoro-(phenylmethyl)boranuide; potassium;benzyl(trifluoro)boranuide
IUPAC Name
potassium;benzyl(trifluoro)boranuide
Canonical SMILES
[B-](CC1=CC=CC=C1)(F)(F)F.[K+]
InChI
InChI=1S/C7H7BF3.K/c9-8(10,11)6-7-4-2-1-3-5-7;/h1-5H,6H2;/q-1;+1
InChI Key
WGHDAVWURFVTQC-UHFFFAOYSA-N
Melting Point
>300 °C (lit.)
Flash Point
Not applicable
Purity
95 %
LogP
2.88210

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
198.0229964 g/mol
Monoisotopic Mass
198.0229964 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
120
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
US-2021094951-A1 Inhibitors of receptor interacting protein kinase i for the treatment of disease 2019-09-06
WO-2021046515-A1 Inhibitors of receptor interacting protein kinase i for the treatment of disease 2019-09-06
CN-110294776-B Method for preparing aryl phosphine oxide derivative 2019-06-20
CN-111592563-A Compound containing carbon-silicon bond and application thereof 2019-02-21
BR-112020025605-A2 pyrazole and imidazole compounds for inhibition of il-17 and rorgama 2018-06-15
CA-3103726-A1 Pyrazole and imidazole compounds for inhibition of il-17 and rorgamma 2018-06-15
CN-112654610-A Pyrazole and imidazole compounds for inhibiting IL-17 and ROR gamma 2018-06-15
KR-20210032936-A Pyrazole and imidazole compounds for inhibition of IL-17 and ROR gamma 2018-06-15
JP-2021527650-A Pyrazole and imidazole compounds for inhibition of IL-17 and RORγ 2018-06-15
US-2021292281-A1 Pyrazole and imidazole compounds for inhibition of il-17 and rorgamma 2018-06-15
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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