tantalum(5+) ion pentaethanolate

• ChemBase ID: 129705
• Molecular Formular: C10H25O5Ta
• Molecular Mass: 406.2504
• Monoisotopic Mass: 406.1181939
• SMILES: [Ta+5].[O-]CC.[O-]CC.[O-]CC.[O-]CC.[O-]CC
• Canonical SMILES: [O-]CC.[O-]CC.[O-]CC.[O-]CC.[O-]CC.[Ta+5]
• InChI: InChI=1S/5C2H5O.Ta/c5*1-2-3;/h5*2H2,1H3;/q5*-1;+5
• InChIKey: HSXKFDGTKKAEHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tantalum(5+) ion pentaethanolate
• IUPAC Traditional name: tantalum(5+) ion pentakis(ethoxide)
• Synonyms: Tantalum(V) ethoxide; Tantalum ethylate; Tantalum(V) ethylate; Pentaethyl tantalate; Tantalum pentaethoxide; Pentaethoxytantalum(V); Tantalum(5+) pentaethanolate; Tantalum(V) ethoxide; 乙醇钽(V)

Database IDs

• CAS Number: 6074-84-6
• EC Number: 228-010-2
• MDL Number: MFCD00049785
• Beilstein Number: 3678999
• PubChem SID: 162223994
• PubChem CID: 2733710; 160806
• Chemspider ID: 21169490
• Wikipedia Title: Tantalum(V)_ethoxide

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

• Solubility: Decomposes in water. Soluble in organic solvents
• Apperance: Colorless liquid; Liquid
• Melting Point: 18-19°C; 21°C
• Boiling Point: 145 °C (at 0.0133 kPa); 145°C/0.1mm
• Flash Point: 30°C(86°F); 30°C(87°F); 87 °F
• Density: 1.566; 1.566 g/cm^3 (at 25°C)
• Refractive Index: 1.488; 1.4880

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2924
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-34; R10, R34
• Safety Statements: 20-23-26-36/37/39-45; 20-23-26-36/37/39-45-60; S16, S26, S36/37/39, S45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• NFPA704:
  

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• GHS Hazard statements: H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 99.999% (metals basis), Nb <100ppm; 99+%