λ2-cobalt(2+) ion bis(propan-2-olate)

• ChemBase ID: 303676
• Molecular Formular: C6H14CoO2
• Molecular Mass: 177.10736
• Monoisotopic Mass: 177.03257469
• SMILES: CC(C)[O-].CC(C)[O-].[Co+2]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.[Co+2]
• InChI: InChI=1S/2C3H7O.Co/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
• InChIKey: VBXHMSMVQZJJLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-cobalt(2+) ion bis(propan-2-olate)
• IUPAC Traditional name: λ^2-cobalt(2+) ion bis(propan-2-olate)
• Synonyms: Cobalt(II) isopropoxide; 异丙氧化钴(II)

Database IDs

• CAS Number: 60406-95-3
• MDL Number: MFCD00799075

CALCULATED PROPERTIES

• Acid pKa: 17.262587
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.2548059
• LogD (pH = 7.4): 0.25480592
• Log P: 0.25480592
• Molar Refractivity: 27.979 cm^3
• Polarizability: 6.5838666 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder, Ampouled under argon

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN3181
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11-36/37/38-68
• Safety Statements: 16-26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Hazard statements: H228-H341-H315-H319-H335
• GHS Precautionary statements: P210-P241-P305+P351+P338-P302+P352-P405-P501A