tetraethoxyzirconium

• ChemBase ID: 147716
• Molecular Formular: C8H20O4Zr
• Molecular Mass: 271.466
• Monoisotopic Mass: 270.04086312
• SMILES: CCO[Zr](OCC)(OCC)OCC
• Canonical SMILES: CCO[Zr](OCC)(OCC)OCC
• 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: tetraethoxyzirconium
• IUPAC Traditional name: tetraethoxyzirconium
• Synonyms: Zirconium(IV) ethoxide; 乙醇锆(IV)

Database IDs

• CAS Number: 18267-08-8
• MDL Number: MFCD00015654
• PubChem SID: 162241901; 24860613
• PubChem CID: 2733709

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1368
• LogD (pH = 7.4): 2.1368
• Log P: 2.1368
• Molar Refractivity: 47.182 cm^3
• Polarizability: 23.1697 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Boiling Point: 235 °C/5 mmHg(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3181
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3181 4.1/PG 2

Product Information

• Purity: 97%
• Linear Formula: Zr(OC2H5)4

DETAILS

Sigma Aldrich - 339121

Application
Convenient precursor for the synthesis of olefin-functionalized zirconium-containing monomers, which have potential for the generation of hybrid zirconium-containing polymers.1
Packaging
5, 25 g in glass bottle