λ1-copper(1+) ion tetrakis(acetonitrile) hexafluoro-λ5-phosphanuide

• ChemBase ID: 148968
• Molecular Formular: C8H12CuF6N4P
• Molecular Mass: 372.7178602
• Monoisotopic Mass: 371.99997485
• SMILES: CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.[Cu+]
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CC#N.CC#N.CC#N.CC#N.[Cu+]
• InChI: InChI=1S/4C2H3N.Cu.F6P/c4*1-2-3;;1-7(2,3,4,5)6/h4*1H3;;/q;;;;+1;-1
• InChIKey: GNQXUMGHBSAQBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-copper(1+) ion tetrakis(acetonitrile) hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: λ^1-copper(1+) ion tetrakis(acetonitrile) hexafluorophosphate
• Synonyms: Copper(I) tetrakis(acetonitrile) hexafluorophosphate; Cuprous tetrakis(acetonitrile) hexafluorophosphate; Tetrakis(acetonitrile)copper(I) hexafluorophosphate; 六氟磷酸四乙氰铜

Database IDs

• CAS Number: 64443-05-6
• MDL Number: MFCD00064810
• PubChem SID: 162243138; 24861387
• PubChem CID: 11068737

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.95856845
• LogD (pH = 7.4): 0.95856845
• Log P: 2.029
• Molar Refractivity: 14.2078 cm^3
• Polarizability: 5.0260315 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160 °C (dec.)(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: [(CH3CN)4Cu]PF6

DETAILS

Sigma Aldrich - 346276

Packaging
5, 25 g in glass bottle