CAS 23519-77-9 Zirconium(IV) Propoxide (ca. 70% in 1-Propanol)

Synonyms

zirconium(4+); A7Z4N4E80X; TR-010919; KS-000012UL; Tetra n-Propyl Zirconate; Zirconium(IV) propoxide solution; Propyl alcohol, zirconium(4+) salt; zirconium tetra propoxide; 1-Propanol, zirconium(4+) salt; UNII-A7Z4N4E80X;

IUPAC Name

propan-1-olate;zirconium(4+);

Molecular Weight

327.576g/mol

Molecular Formula

C12H28O4Zr;

Canonical SMILES

CCC[O-].CCC[O-].CCC[O-].CCC[O-].[Zr+4];

InChI

InChI=1S/4C3H7O.Zr/c4*1-2-3-4;/h4*2-3H2,1H3;/q4*-1;+4;

InChI Key

XPGAWFIWCWKDDL-UHFFFAOYSA-N;

Complexity

7.2

Covalently-Bonded Unit Count

EC Number

245-711-9

Exact Mass

326.103g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

326.103g/mol

Rotatable Bond Count

Topological Polar Surface Area

92.2A^2

UNII

A7Z4N4E80X

UN Number

1993

Application

Zirconium(IV) Propoxide (ca. 70% in 1-Propanol) is a slightly viscous, colorless to pale yellow solution formulated for use as a precursor in the production of zirconia. This organometallic compound plays a crucial role in investigating the thermophysical properties, such as thermal conductivity and thermal effusivity, of hybrid films, which in turn allows for the fine-tuning of their optical properties. The product is characterized by its yellow hue and alcohol-like odor, possessing a density similar to water but remaining insoluble in it. It has a flash point below 141°F, making it flammable and its vapors heavier than air. It may cause irritation to the skin, eyes, and mucous membranes. As an organometallic compound, it displays reactive behavior with various groups, showing incompatibility with acids, bases, and oxidizing agents, and often reacts with water to release toxic or flammable gases.

February 12, 2025

Essential for Advanced Material Research

Zirconium(IV) Propoxide is indispensable in synthesizing zirconia for our optic properties research. Despite its flammability and reactivity with water, it's straightforward to handle and significantly enhances our hybrid film studies. Highly recommended!