tantalum(5+) ion pentamethanolate

• ChemBase ID: 303074
• Molecular Formular: C5H15O5Ta
• Molecular Mass: 336.1175
• Monoisotopic Mass: 336.03994358
• SMILES: C[O-].C[O-].C[O-].C[O-].C[O-].[Ta+5]
• Canonical SMILES: C[O-].C[O-].C[O-].C[O-].C[O-].[Ta+5]
• InChI: InChI=1S/5CH3O.Ta/c5*1-2;/h5*1H3;/q5*-1;+5
• InChIKey: QASMZJKUEABJNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tantalum(5+) ion pentamethanolate
• IUPAC Traditional name: tantalum(5+) ion pentakis(methoxide)
• Synonyms: Tantalum(V) methoxide; 甲醇钽(V)

Database IDs

• CAS Number: 865-35-0
• MDL Number: MFCD00058817

CALCULATED PROPERTIES

• Acid pKa: 15.775593
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.51857704
• LogD (pH = 7.4): -0.5185771
• Log P: -0.51857704
• Molar Refractivity: 18.8116 cm^3
• Polarizability: 2.9253356 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 50°C
• Boiling Point: 189°C/10mm

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); X
• UN Number: UN3181
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11-22-36/37/38
• Safety Statements: 16-26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H228-H302-H315-H319-H335
• GHS Precautionary statements: P210-P280H-P305+P351+P338