Potassium 2-bromo-4-(trifluoromethyl)pyridine-3-trifluoroborate

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Product Information

Molecular Formula:
C6H2BBrF6KN
Molecular Weight:
331.89
Description
An organotrifluoroborate involved in:• Nickel-catalyzed cross-coupling reactions and C-O activation• Suzuki cross-coupling, • Copper-catalyzed cross-coupling reactions• Stereoselective Mukaiyama aldol reactionsOrganotrifluoroborates as versatile and stable boronic acid surrogates.
IUPAC Name
potassium[2-bromo-4-(trifluoromethyl)pyridin-3-yl]-trifluoroboranuide
Canonical SMILES
[B-](C1=C(C=CN=C1Br)C(F)(F)F)(F)(F)F.[K+]
InChI
InChI=1S/C6H2BBrF6N.K/c8-5-4(7(12,13)14)3(1-2-15-5)6(9,10)11/h1-2H/q-1+1
InChI Key
WGDRKFJAJWNHQI-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
97%

Safety Information

Hazards
H315 - H319
Precautionary Statement
P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
0
Exact Mass
330.90049 g/mol
Monoisotopic Mass
330.90049 g/mol
Topological Polar Surface Area
12.9Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
234
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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