Potassium 5-fluoro-2-isonicotinyltrifluoroborate
Product Information
Molecular Formula
C6H3BF4KNO
Molecular Weight
231.00
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
potassiumtrifluoro-(5-fluoropyridine-2-carbonyl)boranuide
SMILES
[B-](C(=O)C1=NC=C(C=C1)F)(F)(F)F.[K+]
InChI
InChI=1S/C6H3BF4NO.K/c8-4-1-2-5(12-3-4)6(13)7(9,10)11/h1-3H/q-1+1
InChI Key
VSMPYOOKQNMZLI-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H315 - H318 - H335
Precautionary Statement
P280 - P302 + P352 - P305 + P351 + P338 + P310
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
1
Exact Mass
230.9880880 g/mol
Monoisotopic Mass
230.9880880 g/mol
Topological Polar Surface Area
30Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
213
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
