nickel(2+) ion dihydrogen carbonate

• ChemBase ID: 303475
• Molecular Formular: C2H2NiO6
• Molecular Mass: 180.72708
• Monoisotopic Mass: 179.92048068
• SMILES: C(=O)(O)[O-].C(=O)(O)[O-].[Ni+2]
• Canonical SMILES: [O-]C(=O)O.[O-]C(=O)O.[Ni+2]
• InChI: InChI=1S/2CH2O3.Ni/c2*2-1(3)4;/h2*(H2,2,3,4);/q;;+2/p-2
• InChIKey: IYFXESRMJKRSNZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion dihydrogen carbonate
• IUPAC Traditional name: nickel(2+) ion dibicarbonate
• Synonyms: Nickel(II) carbonate hydroxide; Nickel(II) carbonate (basic) hydrate; 碳酸镍(II)水合物

Database IDs

• CAS Number: 155775-31-8
• EC Number: 240-408-8
• MDL Number: MFCD00016262

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 20.3353 cm^3
• Polarizability: 3.759794 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• RTECS: QR6260000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 49-61-20/22-38-42/43-48/23-68-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Hazard statements: H334-H350-H360-H372-H315-H317-H341-H400-H410-H302-H332
• GHS Precautionary statements: P273-P201-P309+P311-P501A

Product Information

• Purity: Ni 40% min, typically 99.5% (metals basis)