hafnium(4+) ion tetrakis(2-methylpropan-2-olate)

• ChemBase ID: 303628
• Molecular Formular: C16H36HfO4
• Molecular Mass: 470.94464
• Monoisotopic Mass: 472.20790963
• SMILES: CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Hf+4]
• Canonical SMILES: [O-]C(C)(C)C.[O-]C(C)(C)C.[O-]C(C)(C)C.[O-]C(C)(C)C.[Hf+4]
• InChI: InChI=1S/4C4H9O.Hf/c4*1-4(2,3)5;/h4*1-3H3;/q4*-1;+4
• InChIKey: WZVIPWQGBBCHJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hafnium(4+) ion tetrakis(2-methylpropan-2-olate)
• IUPAC Traditional name: hafnium(4+) ion tetrakis(2-methylpropan-2-olate)
• Synonyms: Hafnium tert-butoxide; 叔丁醇铪

Database IDs

• CAS Number: 2172-02-3
• MDL Number: MFCD00070458

CALCULATED PROPERTIES

• Acid pKa: 18.086988
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.53538257
• LogD (pH = 7.4): 0.53538257
• Log P: 0.53538257
• Molar Refractivity: 32.6172 cm^3
• Polarizability: 8.423538 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 90°C/5mm
• Flash Point: >65°C(149°F)
• Density: 1.15

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-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A

Product Information

• Purity: 99.9% (metals basis excluding Zr), Zr< 0.2%