1,3-dicobaltabicyclo[1.1.0]butane-2,4-dione; hexakis(methanidylidyneoxidanium)

• ChemBase ID: 164934
• Molecular Formular: C8Co2O8
• Molecular Mass: 341.9472
• Monoisotopic Mass: 341.82570696
• SMILES: [Co]12C(=O)[Co]1C2=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
• Canonical SMILES: O=C1[Co]2[Co]1C2=O.[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-]
• InChI: InChI=1S/8CO.2Co/c8*1-2
• InChIKey: NFWSABSVGZVHCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dicobaltabicyclo[1.1.0]butane-2,4-dione; hexakis(methanidylidyneoxidanium)
• IUPAC Traditional name: 1,3-dicobaltabicyclo[1.1.0]butane-2,4-dione; hexakis(carbon monoxide)
• Synonyms: Cobalt octacarbonyl (Co2(CO)8); Cobalt Tetracarbonyl Dimer; Di-μ-carbonylhexacarbonyldicobalt; Dicobalt Carbonyl; Dicobalt Octacarbonyl; Octacarbonyldicobalt; Cobalt Carbonyl

Database IDs

• CAS Number: 10210-68-1
• PubChem SID: 162259068
• PubChem CID: 25049

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.5886
• LogD (pH = 7.4): -0.5886
• Log P: -0.5886
• Molar Refractivity: 9.8852 cm^3
• Polarizability: 10.65054 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - C633100

Cobalt Carbonyl is a metal carbonyl used as a reagent and catalyst in organometallic chemistry and organic synthesis. Cobalt Carbonyl is commonly used as a hydroformylation catalyst for the conversion of alkenes to aldehydes.

REFERENCES

• Mirbach, M. et al.: J. Am. Chem. Soc., 103, 7594 (1981)
• Haukka, M. et al.: J. Mol. Cat. A Chem., 102, 79 (1981)
• Haumann, M. et al.: Catal. Tod., 79, 43 (1981)