bis(λ2-cobalt(2+) ion) octakis(methanidylidyneoxidanium)

• ChemBase ID: 126992
• Molecular Formular: C8Co2O8++++
• Molecular Mass: 341.9472
• Monoisotopic Mass: 341.82570696
• SMILES: [Co+2].[Co+2].[C-]#[O+].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-]
• Canonical SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Co+2].[Co+2]
• InChI: InChI=1S/8CO.2Co/c8*1-2;;/q;;;;;;;;2*+2
• InChIKey: MQIKJSYMMJWAMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(λ^2-cobalt(2+) ion) octakis(methanidylidyneoxidanium)
• IUPAC Traditional name: bis(λ^2-cobalt(2+) ion) octakis(carbon monoxide)
• Synonyms: Cobalt carbonyl; Dicobalt octacarbonyl

Database IDs

• CAS Number: 10210-68-1
• PubChem SID: 162221315
• PubChem CID: 2724943
• Chemspider ID: 2007057
• Wikipedia Title: Dicobalt_octacarbonyl

CALCULATED PROPERTIES

• Acid pKa: 4.716424
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.5620072
• LogD (pH = 7.4): -3.521575
• Log P: -3.9616656
• Molar Refractivity: 26.2298 cm^3
• Polarizability: 2.2798557 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in water
• Apperance: red-orange crystals; when pure
• Melting Point: 51 - 52°C
• Boiling Point: 52°C (decomp. ca.)
• Density: 1.87 g/cm^3

Safety Information

• RTECS: GG0300000
• UN Number: 3281
• Main Hazard: Toxic