Potassium 4-Pyridyltrifluoroborate

Inquiry

Molecular Formula:

C5H4F3NBK

Molecular Weight:

185.00

CAS Number:

1111732-87-6

Catalog Number:

1111732-87-6

Product Information

Molecular Formula:

C5H4F3NBK

Molecular Weight:

185.00

Description

Organotrifluoroborate involved in: Cross-coupling with unactivated alkyl halides; C-O activation of phenol derivatives; Suzuki-Miyaura cross-coupling reactionsOrganotrifluoroborates as versatile and stable boronic acid surrogates.

Synonyms

potassium;trifluoro(pyridin-4-yl)boranuide; potassium;trifluoro(pyridin-4-yl)boranuide

IUPAC Name

potassium;trifluoro(pyridin-4-yl)boranuide

Canonical SMILES

[B-](C1=CC=NC=C1)(F)(F)F.[K+]

InChI

InChI=1S/C5H4BF3N.K/c7-6(8,9)5-1-3-10-4-2-5;/h1-4H;/q-1;+1

InChI Key

SLPOSOZRTRIRQS-UHFFFAOYSA-N

Melting Point

45-50 °C

Flash Point

140.9 °F

LogP

1.13600

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

185.0025953 g/mol

Monoisotopic Mass

185.0025953 g/mol

Topological Polar Surface Area

12.9Å²

Heavy Atom Count

Formal Charge

Complexity

113

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-2017204979-A1	18/19F-labelled compounds which target the prostate specific membrane antigen	2016-01-10
CA-3049470-A1	18/19f-labelled compounds which target the prostate specific membrane antigen	2016-01-10
EP-3400229-A1	18/19f-labelled compounds which target the prostate specific membrane antigen	2016-01-10
US-2019010171-A1	18/19f-labelled compounds which target the prostate specific membrane antigen	2016-01-10
WO-2017117687-A1	18/19f-labelled compounds which target the prostate specific membrane antigen	2016-01-10
AU-2017204979-B2	18/19F-labelled compounds which target the prostate specific membrane antigen	2016-01-10
US-10882871-B2	18/19F-labelled compounds which target the prostate specific membrane antigen	2016-01-10
JP-5896028-B2	Method for producing polyhydric alcohol ether	2012-08-09
JP-WO2014024717-A1	Method for producing polyhydric alcohol ether	2012-08-09
WO-2014024717-A1	Method for producing polyhydric alcohol ether	2012-08-09

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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