dicobalt; octakis(methanidylidyneoxidanium)

• ChemBase ID: 152815
• Molecular Formular: C8Co2O8
• Molecular Mass: 341.9472
• Monoisotopic Mass: 341.82570696
• SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co][Co]
• Canonical SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Co][Co]
• InChI: InChI=1S/8CO.2Co/c8*1-2
• InChIKey: NFWSABSVGZVHCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicobalt; octakis(methanidylidyneoxidanium)
• IUPAC Traditional name: octakis(carbon monoxide); dicobalt
• Synonyms: Cobalt carbonyl; Cobalt tetracarbonyl; Octacarbonyldicobalt; Cobalt tetracarbonyl dimer; Di-μ-carbonylhexacarbonyldicobal; Octacarbonyldicobalt; Dicobalt octacarbonyl; Cobalt carbonyl; 八羰基二钴; 八羰基二钴; 羰基钴

Database IDs

• CAS Number: 10210-68-1
• EC Number: 233-514-0
• MDL Number: MFCD00016024
• PubChem SID: 162246958; 24881990
• PubChem CID: 71311569

CALCULATED PROPERTIES

• Acid pKa: 15.189176
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -3.9616656
• LogD (pH = 7.4): -3.9616656
• 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. Soluble in alcohol, ether and carbon disulfide
• Apperance: Crystalline
• Melting Point: ca 51°C dec.
• Flash Point: -13°C(-9°F); -23 °C; -9.4 °F
• Density: 1.73

Safety Information

• Storage Warning: Air Sensitive
• RTECS: GG0300000
• European Hazard Symbols: Flammable (F); Highly toxic (T+)
• UN Number: 2930; UN3124
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1; I
• Risk Statements: 11-22-26-48/20-43-62-52/53; 22-26-40-43-48/20-52/53-62
• Safety Statements: 28-36/37-45-61; 4-9-16-20-28-33-36/37-45-61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H252-H330-H302-H317-H361-H373-H412; H251-H302-H304-H315-H317-H330-H351-H361f-H373-H412
• GHS Precautionary statements: P210-P304+P340-P320-P330-P405-P501A; P235 + P410-P260-P273-P280-P284-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2930 6.1/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90% (Co); stab. with 1-5% hexane
• Quality: moistened with hexane (hexane 1-10%)
• Linear Formula: Co2(CO)8

DETAILS

Sigma Aldrich - 60811

Packaging
5, 25 g in glass bottle

REFERENCES

• Reagent used in the Pauson-Khand reaction, a formal [2 + 2 + 1] cycloaddition of an alkyne, and alkene and carbon monoxide to form a cyclopentenone: J. Chem. Soc., Perkin 1, 977 (1973):
  
• The reaction has been exploited as a powderful tool in the synthesis of complex molecules. For reviews, see: Org. React., 40, 1 (1991); Chem. Soc. Rev., 33, 32 (2004).