nickel(2+) ion diformate dihydrate

• ChemBase ID: 302979
• Molecular Formular: C2H6NiO6
• Molecular Mass: 184.75884
• Monoisotopic Mass: 183.95178081
• SMILES: C(=O)[O-].C(=O)[O-].O.O.[Ni+2]
• Canonical SMILES: [O-]C=O.[O-]C=O.O.O.[Ni+2]
• InChI: InChI=1S/2CH2O2.Ni.2H2O/c2*2-1-3;;;/h2*1H,(H,2,3);;2*1H2/q;;+2;;/p-2
• InChIKey: SMAMDWMLHWVJQM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion diformate dihydrate
• IUPAC Traditional name: nickel(2+) ion diformate dihydrate
• Synonyms: Nickel(II) formate dihydrate; 甲酸镍(II)二水合物

Database IDs

• CAS Number: 15694-70-9
• EC Number: 222-101-0
• MDL Number: MFCD00153034
• Merck Index: 146509

CALCULATED PROPERTIES

• Acid pKa: 4.269118
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5255477
• LogD (pH = 7.4): -3.257304
• Log P: -0.27204442
• Molar Refractivity: 18.9903 cm^3
• Polarizability: 3.1383486 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: In the range 180-200 decomposes to Ni, CO, CO2, H2, H2O, CH4. Partially soluble in water
• Apperance: Powder
• Melting Point: 130-140°C -2H{2}O
• Density: 2.15

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 49-61-42/43-48/23-68-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS08; GHS09
• GHS Hazard statements: H334-H350-H360-H372-H317-H341-H400-H410
• GHS Precautionary statements: P260-P285-P302+P352-P321-P405-P501A