vanadium(4+) ion tetrakis(naphthalene-2-carboxylate)

• ChemBase ID: 303427
• Molecular Formular: C44H28O8V
• Molecular Mass: 735.62982
• Monoisotopic Mass: 735.12237736
• SMILES: c1ccc2cc(ccc2c1)C(=O)[O-].c1ccc2cc(ccc2c1)C(=O)[O-].c1ccc2cc(ccc2c1)C(=O)[O-].c1ccc2cc(ccc2c1)C(=O)[O-].[V+4]
• Canonical SMILES: [O-]C(=O)c1ccc2c(c1)cccc2.[O-]C(=O)c1ccc2c(c1)cccc2.[O-]C(=O)c1ccc2c(c1)cccc2.[O-]C(=O)c1ccc2c(c1)cccc2.[V+4]
• InChI: InChI=1S/4C11H8O2.V/c4*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h4*1-7H,(H,12,13);/q;;;;+4/p-4
• InChIKey: DLHFCHPXIYNOOK-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: vanadium(4+) ion tetrakis(naphthalene-2-carboxylate)
• IUPAC Traditional name: vanadium(4+) ion tetrakis(2-naphthoate)
• Synonyms: Vanadium naphthenate oxide; 环烷酸氧化钒

Database IDs

• CAS Number: 68553-60-6
• MDL Number: MFCD00148763

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: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid
• Density: 1.04

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: UN3285
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 23/25
• Safety Statements: 28-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H331
• GHS Precautionary statements: P261-P301+P310-P321-P304+P340-P405-P501A

Product Information

• Purity: 35% in naphthenic acid (V 2.8-3.2%)