copper(2+) ion zinc(2+) ion dioxidandiide

• ChemBase ID: 302162
• Molecular Formular: CuO2Zn
• Molecular Mass: 160.9248
• Monoisotopic Mass: 158.84856874
• SMILES: [O-2].[O-2].[Cu+2].[Zn+2]
• Canonical SMILES: [O-2].[O-2].[Cu+2].[Zn+2]
• InChI: InChI=1S/Cu.2O.Zn/q+2;2*-2;+2
• InChIKey: VODBHXZOIQDDST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion zinc(2+) ion dioxidandiide
• IUPAC Traditional name: copper(2+) ion zinc(2+) ion dioxidandiide
• Synonyms: Zinc-copper couple; 锌-铜偶

Database IDs

• CAS Number: 53801-63-1
• MDL Number: MFCD00084851

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 13.1149 cm^3
• Polarizability: 1.8190874 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 419-420°C

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F)
• UN Number: UN3089
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11
• Safety Statements: 33
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Hazard statements: H228
• GHS Precautionary statements: P210-P241-P280-P240-P370+P378A

Product Information

• Purity: Copper content typically ca 1-3%.

REFERENCES

• For use in the Simmons-Smith cyclopropanation reaction, see Diiodomethane, A15457. For use in the Reformatsky reaction, see: Synthesis, 698 (1977).
• Used for the selective, stereospecific reduction of alkynes to cis-alkenes: Chem. Ind. (London), 143 (1957). For deiodination of iodotributylstannylalkanes, see: Synlett., 891 (1992).
• In the presence of a free-radical initiator, promotes the formylation of perfluoroalkyl iodides with DMF to give fluorinated aldehydes in high yield: J. Fluorine Chem., 63, 217 (1993).