Tetrakis(acetonitrile)copper(I) hexafluorophosphate

Catalog Number	ACM64443056-1
CAS	64443-05-6
Structure
Synonyms	Acetonitrile;copper(1+);hexafluorophosphate
IUPAC Name	acetonitrile;copper(1+);hexafluorophosphate;
Molecular Weight	372.72
Molecular Formula	C8H12CuF6N4P
Canonical SMILES	CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.[Cu+]
InChI	InChI=1S/4C2H3N.Cu.F6P/c4*1-2-3;1-7(2,3,4,5)6/h4*1H3;/q;+1;-1
InChI Key	GNQXUMGHBSAQBV-UHFFFAOYSA-N
Melting Point	160 °C
Purity	97%
Appearance	Solid
Application	Useful catalyst for the Ullmann synthesis. Catalytic asymmetric [2,3]-Sigmatropic rearrangement of sulfur ylides. Precatalyst for enantioselective N-H insertion reactions with diazoesters and anilines.
Complexity	92
Covalently-Bonded Unit Count	6
Exact Mass	371.999974
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	0
Monoisotopic Mass	371.999974
Rotatable Bond Count	0
Topological Polar Surface Area	95.2 Ų