nickel(2+) ion diacetate tetrahydrate

• ChemBase ID: 112593
• Molecular Formular: C4H14NiO8
• Molecular Mass: 248.84256
• Monoisotopic Mass: 248.00421031
• SMILES: O.O.O.O.[Ni+2].CC(=O)[O-].CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.O.O.O.O.[Ni+2]
• InChI: InChI=1S/2C2H4O2.Ni.4H2O/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);;4*1H2/q;;+2;;;;/p-2
• InChIKey: OINIXPNQKAZCRL-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion diacetate tetrahydrate
• IUPAC Traditional name: nickel(2+) bis(acetate ion) tetrahydrate; nickel(2+) ion diacetate tetrahydrate
• Synonyms: NICKEL ACETATE; Nickel(II) acetate tetrahydrate, Puratronic®; Acetic acid nickel(II) salt; Nickel(II) acetate tetrahydrate; Nickel(II) acetate hydrate; 乙酸镍(II)四水合物, Puratronic®; 乙酸镍(II)四水合物; 乙酸镍(II)水合物

Database IDs

• CAS Number: 6018-89-9
• EC Number: 206-761-7
• MDL Number: MFCD00066973; MFCD00012451
• Beilstein Number: 3730764
• Merck Index: 146499
• PubChem SID: 162097533
• PubChem CID: 62601

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water, alcohol
• Apperance: Crystalline; Crystalline Aggregates
• Melting Point: dec.
• Density: 1.744

Safety Information

• RTECS: QR6126000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 49-61-20/22-42/43-48/23-68-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Hazard statements: H334-H350-H360-H372-H317-H341-H400-H410-H302-H332
• GHS Precautionary statements: P260-P285-P302+P352-P321-P405-P501A

Product Information

• Purity: 98+%; 99.999% (metals basis); 99+%

DETAILS

MP Biomedicals - 05224798

MP Biomedicals Rare Chemical collection

REFERENCES

• In combination with NaH and the Na derivative of 3-Hydroxy-1-methylpiperidine, L10829, can be used for desufurization of thioethers, showing dramatic rate enhancement compared with other systems: Tetrahedron Lett., 39, 8987 (1998).