tris(λ2-cobalt(2+) ion) octahydrate diphosphate

• ChemBase ID: 303115
• Molecular Formular: Co3H16O16P2
• Molecular Mass: 510.864562
• Monoisotopic Mass: 510.79094269
• SMILES: O.O.O.O.O.O.O.O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Co+2].[Co+2].[Co+2]
• Canonical SMILES: [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].O.O.O.O.O.O.O.O.[Co+2].[Co+2].[Co+2]
• InChI: InChI=1S/3Co.2H3O4P.8H2O/c;;;2*1-5(2,3)4;;;;;;;;/h;;;2*(H3,1,2,3,4);8*1H2/q3*+2;;;;;;;;;;/p-6
• InChIKey: QOQSIXJUYVUEMP-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(λ^2-cobalt(2+) ion) octahydrate diphosphate
• IUPAC Traditional name: tris(λ^2-cobalt(2+) ion) octahydrate diphosphate
• Synonyms: Cobalt(II) phosphate octahydrate; 磷酸钴(II)八水合物

Database IDs

• CAS Number: 10294-50-5
• EC Number: 236-655-6
• MDL Number: MFCD00016028

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 11.2868 cm^3
• Polarizability: 5.564544 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Density: 2.769

Safety Information

• RTECS: TB9279500
• European Hazard Symbols: X
• Risk Statements: 22-43-68
• Safety Statements: 36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Hazard statements: H301-H317-H341
• GHS Precautionary statements: P261-P301+P310-P302+P352-P321-P405-P501A