Potassium 4-fluorobenzoyltrifluoroborate

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Product Information

Molecular Formula:
C7H4BF4KO
Molecular Weight:
230.01
Description
Potassium 4-fluorobenzoyltrifluoroborate may be used in the synthesis of MIDA (N-methyliminodiacetic acid) 4-fluorobenzoylboronate. It may also be used in the synthesis of potassium O-(4-benzoyltrifluoroborate)-O'-methylpolyethylene glycols of varying molecular weights.
Potassium Acyltrifluroborates (KAT's) are bench, air, and moisture stable reagents for rapid, chemoselective amide bond formations with hydroxylamines. These amide bond forming reactions proceed under aqueous conditions, without the need for coupling reagents or protecting groups. This product was introduced in collaboration with the Bode Research Group.
Synonyms
Potassium trifluoro(4-fluorobenzoyl)borate
IUPAC Name
potassiumtrifluoro-(4-fluorobenzoyl)boranuide
Canonical SMILES
[B-](C(=O)C1=CC=C(C=C1)F)(F)(F)F.[K+]
InChI
InChI=1S/C7H4BF4O.K/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H/q-1+1
InChI Key
LOYMDZPOAVQAJV-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

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

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
229.9928390 g/mol
Monoisotopic Mass
229.9928390 g/mol
Topological Polar Surface Area
17.1Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
200
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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