tantalum(5+) ion (2Z)-4-oxopent-2-en-2-olate tetraethanolate

• ChemBase ID: 303455
• Molecular Formular: C13H27O6Ta
• Molecular Mass: 460.29778
• Monoisotopic Mass: 460.12875858
• SMILES: CC[O-].CC[O-].CC[O-].CC[O-].C/C(=C/C(=O)C)/[O-].[Ta+5]
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C.[O-]CC.[O-]CC.[O-]CC.[O-]CC.[Ta+5]
• InChI: InChI=1S/C5H8O2.4C2H5O.Ta/c1-4(6)3-5(2)7;4*1-2-3;/h3,6H,1-2H3;4*2H2,1H3;/q;4*-1;+5/p-1/b4-3-
• InChIKey: LSALXRIVOAYYJW-GLUPTGNJSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tantalum(5+) ion (2Z)-4-oxopent-2-en-2-olate tetraethanolate
• IUPAC Traditional name: tantalum(5+) ion tetrakis(ethoxide) (2Z)-4-oxopent-2-en-2-olate
• Synonyms: Tantalum(V) acetylacetonate tetraethoxide; Tantalum(V) tetraethoxide 2,4-pentanedionate; 四乙醇乙酰丙酮钽(V)

Database IDs

• CAS Number: 20219-33-4
• MDL Number: MFCD00145349

CALCULATED PROPERTIES

• Acid pKa: 9.890059
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.34448203
• LogD (pH = 7.4): 0.34309724
• Log P: 0.3444997
• Molar Refractivity: 39.1896 cm^3
• Polarizability: 10.113493 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Solid
• Melting Point: 45°C
• Boiling Point: 95°C/0.5mm
• Flash Point: >65°C(149°F)
• Density: 1.5

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 99.99%, (metals basis)