nickel(2+) ion diacetate

• ChemBase ID: 112031
• Molecular Formular: C4H6NiO4
• Molecular Mass: 176.78144
• Monoisotopic Mass: 175.96195157
• SMILES: [Ni+2].CC(=O)[O-].CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[Ni+2]
• InChI: InChI=1S/2C2H4O2.Ni/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
• InChIKey: AIYYMMQIMJOTBM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion diacetate
• IUPAC Systematic name: Nickel(2+) diacetate
• IUPAC Traditional name: nickel(2+) bis(acetate ion); nickel(2+) ion diacetate
• Synonyms: NICKELOUS ACETATE; Nickel(II) acetate

Database IDs

• CAS Number: 373-02-4
• EC Number: 206-761-7; 239-086-1
• PubChem SID: 162096765
• PubChem CID: 9756
• Wikipedia Title: Nickel(II)_acetate

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: Easily soluble in cold water, hot water; Soluble in methanol ; insoluble in diethyl ether, n-octanol
• Apperance: Green Solid
• Melting Point: decomposes when heated
• Density: 1.798 g/cm^3 (anyhdrous) ; 1.744 g/cm^3 (tetrahydrate)
• Odor: slight acetic acid

Safety Information

• RTECS: QR6125000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:40-43
• Safety Statements: R; S:22-36
• NFPA704:
  

  0

  2

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DETAILS

MP Biomedicals - 05222260

MP Biomedicals Rare Chemical collection