λ2-cobalt(2+) ion dioctadecanoate

• ChemBase ID: 303712
• Molecular Formular: C36H70CoO4
• Molecular Mass: 625.8718
• Monoisotopic Mass: 625.46060572
• SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Co+2]
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Co+2]
• InChI: InChI=1S/2C18H36O2.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
• InChIKey: AMFIJXSMYBKJQV-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-cobalt(2+) ion dioctadecanoate
• IUPAC Traditional name: λ^2-cobalt(2+) ion bis(n-octadecanoate)
• Synonyms: Cobalt(II) stearate; 硬脂酸钴(II)

Database IDs

• CAS Number: 1002-88-6
• EC Number: 213-694-7
• MDL Number: MFCD00054343

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.4899144
• LogD (pH = 7.4): 4.7307796
• Log P: 7.14572
• Molar Refractivity: 97.1227 cm^3
• Polarizability: 34.295197 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 32
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Pellets
• Density: 1.71

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 43-52/53
• Safety Statements: 24-37-61
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H317-H402-H412
• GHS Precautionary statements: P261-P280-P302+P352-P321-P363-P501A

Product Information

• Purity: Co 9-10%