tantalum(5+) ion lithium(1+) ion hexaethanolate

• ChemBase ID: 303657
• Molecular Formular: C12H30LiO6Ta
• Molecular Mass: 458.2519
• Monoisotopic Mass: 458.16823823
• SMILES: [Li+].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Ta+5]
• Canonical SMILES: [O-]CC.[O-]CC.[O-]CC.[O-]CC.[O-]CC.[O-]CC.[Li+].[Ta+5]
• InChI: InChI=1S/6C2H5O.Li.Ta/c6*1-2-3;;/h6*2H2,1H3;;/q6*-1;+1;+5
• InChIKey: RISCZOQVXLVCQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tantalum(5+) ion lithium(1+) ion hexaethanolate
• IUPAC Traditional name: tantalum(5+) ion lithium(1+) ion hexakis(ethoxide)
• Synonyms: Lithium tantalum ethoxide; 乙醇钽锂

Database IDs

• CAS Number: 127503-04-2
• MDL Number: MFCD00210630

CALCULATED PROPERTIES

• Acid pKa: 16.470615
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.1617691
• LogD (pH = 7.4): -0.1617691
• Log P: -0.1617691
• Molar Refractivity: 23.5602 cm^3
• Polarizability: 4.748913 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN1170
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-36/38
• Safety Statements: 7/9-16-23-26-33-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Hazard statements: H225
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A

Product Information

• Purity: 99.9% (metals basis), 5% w/v in ethanol