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

• ChemBase ID: 106714
• Molecular Formular: C22H14CoO4
• Molecular Mass: 401.27736
• Monoisotopic Mass: 401.02240393
• SMILES: [Co+2].[O-]C(=O)c1ccc2ccccc2c1.[O-]C(=O)c1ccc2ccccc2c1
• Canonical SMILES: [O-]C(=O)c1ccc2c(c1)cccc2.[O-]C(=O)c1ccc2c(c1)cccc2.[Co+2]
• InChI: InChI=1S/2C11H8O2.Co/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: IFSWBZCGMGEHLE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(2+) ion bis(naphthalene-2-carboxylate); λ^2-cobalt(2+) ion bis(naphthalene-2-carboxylate)
• IUPAC Traditional name: cobalt(2+) bis(2-naphthoate); λ^2-cobalt(2+) ion bis(2-naphthoate)
• Synonyms: COBALT NAPHTHENATE; Cobalt naphthenate; 环烷酸钴

Database IDs

• CAS Number: 61789-51-3
• EC Number: 263-064-0
• MDL Number: MFCD02094763
• PubChem SID: 162093199
• PubChem CID: 14048876

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: Dark Liquid
• Flash Point: 40°C(104°F)

Safety Information

• RTECS: QK8925000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-40-43-65; R:10-40-42/43-68
• Safety Statements: 24-36/37-62; S:16-24-36/37/39-45-53
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Hazard statements: H304-H351-H226-H317-H303
• GHS Precautionary statements: P280H-P262-P301+P330+P331-P315

Product Information

• Purity: Co 6%, approximately 53% in mineral spirits