tantalum(5+) ion pentakis(2,2,2-trifluoroethan-1-olate)

• ChemBase ID: 303454
• Molecular Formular: C10H10F15O5Ta
• Molecular Mass: 676.107348
• Monoisotopic Mass: 675.97686672
• SMILES: C(C(F)(F)F)[O-].C(C(F)(F)F)[O-].C(C(F)(F)F)[O-].C(C(F)(F)F)[O-].C(C(F)(F)F)[O-].[Ta+5]
• Canonical SMILES: [O-]CC(F)(F)F.[O-]CC(F)(F)F.[O-]CC(F)(F)F.[O-]CC(F)(F)F.[O-]CC(F)(F)F.[Ta+5]
• InChI: InChI=1S/5C2H2F3O.Ta/c5*3-2(4,5)1-6;/h5*1H2;/q5*-1;+5
• InChIKey: XPQYLUGYVZNMLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tantalum(5+) ion pentakis(2,2,2-trifluoroethan-1-olate)
• IUPAC Traditional name: tantalum(5+) ion pentakis(2,2,2-trifluoroethanolate)
• Synonyms: Tantalum(V) 2,2,2-trifluoroethoxide; 2,2,2-三氟乙醇钽(V)

Database IDs

• CAS Number: 13053-54-8
• MDL Number: MFCD00145348

CALCULATED PROPERTIES

• Acid pKa: 11.4913225
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.43651873
• LogD (pH = 7.4): 0.436484
• Log P: 0.43651918
• Molar Refractivity: 24.2617 cm^3
• Polarizability: 4.785957 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 115°C/0.1mm
• Flash Point: >65°C(>150°F)
• Density: 1.9

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: X
• Risk Statements: 22-38-41
• Safety Statements: 26-36/37/39
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Hazard statements: H318-H315-H302
• GHS Precautionary statements: P280-P305+P351+P338-P315

Product Information

• Purity: 99.99+% (metals basis)