nickel(2+) ion bis(2-ethylhexanoate)

• ChemBase ID: 303392
• Molecular Formular: C16H30NiO4
• Molecular Mass: 345.1004
• Monoisotopic Mass: 344.14975234
• SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ni+2]
• Canonical SMILES: CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.[Ni+2]
• InChI: InChI=1S/2C8H16O2.Ni/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
• InChIKey: UVPKUTPZWFHAHY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion bis(2-ethylhexanoate)
• IUPAC Traditional name: nickel(2+) ion bis(2-ethylhexanoate)
• Synonyms: Octanoic acid nickel(II) salt; Nickel(II) octanoate; 辛酸镍(II)

Database IDs

• CAS Number: 4995-91-9
• MDL Number: MFCD00064239

CALCULATED PROPERTIES

• Acid pKa: 5.144522
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2845745
• LogD (pH = 7.4): 0.563084
• Log P: 2.7984512
• Molar Refractivity: 51.0862 cm^3
• Polarizability: 15.86637 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Flash Point: 40°C(104°F)
• Density: 0.95

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 45-61-10-35-42/43-48/23-68-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS08; GHS09
• GHS Hazard statements: H334-H350-H360-H372-H317-H341-H314-H318-H226-H400-H410
• GHS Precautionary statements: P273-P201-P309-P310-P501A

Product Information

• Purity: in mineral spirits (8% Ni)