Potassium nicotinoyltrifluoroborate
Product Information
Molecular Formula
C6H4BF3KNO
Molecular Weight
213.01
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(pyridine-3-carbonyl)boranuide
SMILES
[B-](C(=O)C1=CN=CC=C1)(F)(F)F.[K+]
InChI
InChI=1S/C6H4BF3NO.K/c8-7(9,10)6(12)5-2-1-3-11-4-5/h1-4H/q-1+1
InChI Key
ZDBUGWQAJRQFIT-UHFFFAOYSA-N
Melting Point
250 °C
Flash Point
Not applicable
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
212.9975099 g/mol
Monoisotopic Mass
212.9975099 g/mol
Topological Polar Surface Area
30Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
187
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
