Potassium m-tolyltrifluoroborate

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Product Information

Molecular Formula:
C7H7BF3K
Molecular Weight:
198.03
Description
Potassium m-tolyltrifluoroborate is a prominent compound in the biomedical industry and serves as a crucial reagent in diverse chemical reactions, thus facilitating the synthesis of potential pharmaceutical entities. Its multifaceted utility elevates its significance in medicinal chemistry, particularly in the pursuit of innovative therapeutic agents against ailments like cancer, inflammation, and microbial infections.
Synonyms
Potassium 3-methylphenyltrifluoroborate
IUPAC Name
potassiumtrifluoro-(3-methylphenyl)boranuide
Canonical SMILES
[B-](C1=CC(=CC=C1)C)(F)(F)F.[K+]
InChI
InChI=1S/C7H7BF3.K/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H3/q-1+1
InChI Key
FRGRQMARQLLUEM-UHFFFAOYSA-N
Melting Point
243-248 °C
Flash Point
Not applicable
Purity
97%

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
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
137
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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