dodecakis(methanidylidyneoxidanium) tetracobalt

• ChemBase ID: 302937
• Molecular Formular: C12Co4O12
• Molecular Mass: 571.854
• Monoisotopic Mass: 571.67175544
• SMILES: [Co].[Co].[Co].[Co].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
• Canonical SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Co].[Co].[Co].[Co]
• InChI: InChI=1S/12CO.4Co/c12*1-2
• InChIKey: YMFAWOSEDSLYSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecakis(methanidylidyneoxidanium) tetracobalt
• IUPAC Traditional name: dodecakis(carbon monoxide) tetracobalt
• Synonyms: Tetracobalt dodecacarbonyl; Dodecacarbonyltetracobalt; 十二羰基四钴

Database IDs

• CAS Number: 17786-31-1
• EC Number: 241-763-1
• MDL Number: MFCD00064698

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: false

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 60°C dec.
• Density: 2.09

Safety Information

• Storage Warning: Air Sensitive
• RTECS: GG3410000
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: UN3179
• Hazard Class: 4.1
• Packing Group: II
• Risk Statements: 11-23/25-40-43
• Safety Statements: 16-24-36/37-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Hazard statements: H228-H301-H331-H317-H351
• GHS Precautionary statements: P210-P280H-P262-P304+P340-P309-P310

Product Information

• Purity: 98% min