tantalum(5+) ion lithium(1+) ion hexakis(propan-2-olate)

• ChemBase ID: 303528
• Molecular Formular: C18H42LiO6Ta
• Molecular Mass: 542.41138
• Monoisotopic Mass: 542.26213861
• SMILES: [Li+].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ta+5]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[Li+].[Ta+5]
• InChI: InChI=1S/6C3H7O.Li.Ta/c6*1-3(2)4;;/h6*3H,1-2H3;;/q6*-1;+1;+5
• InChIKey: RKYCQLHUSHVYTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tantalum(5+) ion lithium(1+) ion hexakis(propan-2-olate)
• IUPAC Traditional name: tantalum(5+) ion lithium(1+) ion hexakis(propan-2-olate)
• Synonyms: Lithium tantalum isopropoxide; 异丙氧基钽锂

Database IDs

• CAS Number: 21864-24-4
• MDL Number: MFCD00798538

CALCULATED PROPERTIES

• Acid pKa: 17.262587
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.2548059
• LogD (pH = 7.4): 0.25480592
• Log P: 0.25480592
• Molar Refractivity: 27.979 cm^3
• Polarizability: 6.5838666 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Wet Solid
• Boiling Point: 160-180°C/0.1mm

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2925
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11-34
• Safety Statements: 16-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H314-H228
• GHS Precautionary statements: P210-P280-P303+P361+P353-P305+P351+P338-P310

Product Information

• Purity: 99.9% (metals basis)