Potassium 6-bromonicotinoyltrifluoroborate

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Product Information

Molecular Formula:
C6H3BBrF3KNO
Molecular Weight:
291.90
Description
Potassium acyltrifluroborates (KATs) 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.
IUPAC Name
potassium(6-bromopyridine-3-carbonyl)-trifluoroboranuide
Canonical SMILES
[B-](C(=O)C1=CN=C(C=C1)Br)(F)(F)F.[K+]
InChI
InChI=1S/C6H3BBrF3NO.K/c8-5-2-1-4(3-12-5)6(13)7(9,10)11/h1-3H/q-1+1
InChI Key
BRMSTGQBXVGZDE-UHFFFAOYSA-N
Melting Point
195.33 °C
Flash Point
Not applicable

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P280 - P304 + P340 + P312 - P305 + P351 + P338 - P337 + P313

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
290.90802 g/mol
Monoisotopic Mass
290.90802 g/mol
Topological Polar Surface Area
30Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
216
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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