trinickel(2+) ion diphosphate

• ChemBase ID: 303391
• Molecular Formular: Ni3O8P2
• Molecular Mass: 366.022922
• Monoisotopic Mass: 363.71286892
• SMILES: [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ni+2].[Ni+2].[Ni+2]
• Canonical SMILES: [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ni+2].[Ni+2].[Ni+2]
• InChI: InChI=1S/3Ni.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6
• InChIKey: AFYAQDWVUWAENU-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: trinickel(2+) ion diphosphate
• IUPAC Traditional name: trinickel(2+) ion diphosphate
• Synonyms: Nickel(II) phosphate hydrate; 磷酸镍(II)水合物

Database IDs

• CAS Number: 27176-17-6
• EC Number: 233-844-5
• MDL Number: MFCD00049501
• Merck Index: 146515

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: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water. Soluble in acids, ammonia
• Apperance: Lump/Powder
• Melting Point: dec.

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 49-42/43-48/23-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS08; GHS09
• GHS Hazard statements: H334-H350-H372-H317-H400-H410
• GHS Precautionary statements: P260-P285-P302+P352-P321-P405-P501A