nickel(2+) ion bis(naphthalene-2-carboxylate)

• ChemBase ID: 303383
• Molecular Formular: C22H14NiO4
• Molecular Mass: 401.03756
• Monoisotopic Mass: 400.02455183
• SMILES: c1ccc2cc(ccc2c1)C(=O)[O-].c1ccc2cc(ccc2c1)C(=O)[O-].[Ni+2]
• Canonical SMILES: [O-]C(=O)c1ccc2c(c1)cccc2.[O-]C(=O)c1ccc2c(c1)cccc2.[Ni+2]
• InChI: InChI=1S/2C11H8O2.Ni/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2
• InChIKey: UIEKYBOPAVTZKW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion bis(naphthalene-2-carboxylate)
• IUPAC Traditional name: nickel(2+) ion bis(2-naphthoate)
• Synonyms: Nickel naphthenate; 环烷酸镍

Database IDs

• CAS Number: 61788-71-4
• EC Number: 263-000-1
• MDL Number: MFCD00147723

CALCULATED PROPERTIES

• Acid pKa: 3.9893572
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1006031
• LogD (pH = 7.4): -0.5448371
• Log P: 2.6203055
• Molar Refractivity: 60.6015 cm^3
• Polarizability: 20.10069 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Viscous liquid

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3082
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 49-43
• Safety Statements: 53-45
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Hazard statements: H350-H400-H410-H317
• GHS Precautionary statements: P201-P308+P313

Product Information

• Purity: Ni 5-12%