Potassium 2,5-dimethylthiophene-3-trifluoroborate

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Product Information

Molecular Formula:
C6H7BF3KS
Molecular Weight:
218.09
Description
Reactant for:• Preparation of diarylethanones via palladium-catalyzed carbonylative Suzuki coupling reaction with benzyl halides in aqueous media
Synonyms
POTASSIUM 2,5-DIMETHYLTHIOPHENE-3-TRIFLUOROBORATE; potassium; (2,5-dimethylthiophen-3-yl)-trifluoroboranuide; trifluoro(2,5-diMethyl-thiophen-3-yl)-Borate potassiuM salt; POTASSIUM (2,5-DIMETHYLTHIOPHEN-3-YL)TRIFLUOROBORANUIDE; Potassium (2,5-dimethylthiophen-3-yl)trifluoroborate; Potassium (2,5-dimethylthiophen-3-yl)(trifluoro)borate(1-)
IUPAC Name
potassium(2,5-dimethylthiophen-3-yl)-trifluoroboranuide
Canonical SMILES
[B-](C1=C(SC(=C1)C)C)(F)(F)F.[K+]
InChI
InChI=1S/C6H7BF3S.K/c1-4-3-6(5(2)11-4)7(8,9)10/h3H,1-2H3/q-1+1
InChI Key
QYDFOHWZTTWDDE-UHFFFAOYSA-N
Melting Point
218-222 °C
Flash Point
Not applicable

Safety Information

Hazards
H302 + H312 + H332 - H315 - H319 - H335
Precautionary Statement
P261 - P280 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
217.9950675 g/mol
Monoisotopic Mass
217.9950675 g/mol
Topological Polar Surface Area
28.2Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
152
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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