zirconium(4+) ion tetraethanolate

• ChemBase ID: 303075
• Molecular Formular: C8H20O4Zr
• Molecular Mass: 271.466
• Monoisotopic Mass: 270.04086312
• SMILES: CC[O-].CC[O-].CC[O-].CC[O-].[Zr+4]
• Canonical SMILES: [O-]CC.[O-]CC.[O-]CC.[O-]CC.[Zr+4]
• InChI: InChI=1S/4C2H5O.Zr/c4*1-2-3;/h4*2H2,1H3;/q4*-1;+4
• InChIKey: ASBGGHMVAMBCOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: zirconium(4+) ion tetraethanolate
• IUPAC Traditional name: zirconium(4+) ion tetrakis(ethoxide)
• Synonyms: Zirconium(IV) ethoxide; 乙醇锆(IV)

Database IDs

• CAS Number: 18267-08-8
• MDL Number: MFCD00015654

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

• Apperance: Crystalline
• Melting Point: 171-173°C
• Boiling Point: 235°C/5mm

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN3181
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P241-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 99%