nickel(2+) ion dihydrate oxalate

• ChemBase ID: 107079
• Molecular Formular: C2H4NiO6
• Molecular Mass: 182.74296
• Monoisotopic Mass: 181.93613075
• SMILES: O.O.[Ni+2].[O-]C(=O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].O.O.[Ni+2]
• InChI: InChI=1S/C2H2O4.Ni.2H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;2*1H2/q;+2;;/p-2
• InChIKey: VNYOIRCILMCTHO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion dihydrate oxalate
• IUPAC Traditional name: nickel(2+) dihydrate oxalate ion; nickel(2+) ion dihydrate oxalate
• Synonyms: NICKEL OXALATE; Nickel(II) oxalate hydrate, Puratronic®; Nickel(II) oxalate dihydrate; 草酸镍(II)水合物, Puratronic®; 草酸镍(II)二水合物

Database IDs

• CAS Number: 126956-48-7; 6018-94-6
• EC Number: 208-933-7
• MDL Number: MFCD00167155
• Merck Index: 146514
• PubChem SID: 162105980
• PubChem CID: 516789

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 36.1128 cm^3
• Polarizability: 5.6277657 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in acids. Insoluble in water
• Apperance: Crystalline Powder; Powder

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 49-43-48/23-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Hazard statements: H350-H372-H400-H410-H317
• GHS Precautionary statements: P260-P261-P302+P352-P321-P405-P501A

Product Information

• Purity: 99.9985% (metals basis)

DETAILS

MP Biomedicals - 05202469

MP Biomedicals Rare Chemical collection