Potassium pyrimidine-5-trifluoroborate

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Product Information

Molecular Formula:
C4H3BF3KN2
Molecular Weight:
185.98
Description
Organotrifluoroborate involved in C-O activation and cross-coupling reactionsOrganotrifluoroborates as versatile and stable boronic acid surrogates.
Synonyms
Potassium trifluoro(pyrimidin-5-yl)borate; potassium; trifluoro(pyrimidin-5-yl)boranuide; potassium trifluoro(pyrimidin-5-yl)boranuide; Pyrimidine-5-trifluoroborate potassium salt; Potassiumtrifluoro(pyrimidin-5-yl)borate; Potassium pyrimidine-5-trifluoroborate, 97%; Potassium trifluoro(pyrimidin-5-yl)borate(1-)
IUPAC Name
potassiumtrifluoro(pyrimidin-5-yl)boranuide
Canonical SMILES
[B-](C1=CN=CN=C1)(F)(F)F.[K+]
InChI
InChI=1S/C4H3BF3N2.K/c6-5(7,8)4-1-9-3-10-2-4/h1-3H/q-1+1
InChI Key
FLVBHQQPIJARSC-UHFFFAOYSA-N
Melting Point
99-103 °C
Flash Point
Not applicable
Purity
97%

Safety Information

Hazards
H302 + H312 + H332 - H315 - H319 - H335
Precautionary Statement
P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
0
Exact Mass
185.9978442 g/mol
Monoisotopic Mass
185.9978442 g/mol
Topological Polar Surface Area
25.8Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
114
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
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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