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  • Zirconium(IV) Butoxide (ca. 80% in 1-Butanol)

  • Zirconium(IV) Butoxide (ca. 80% in 1-Butanol)

    Catalog Number
    ACM1071767
    CAS Number
    1071-76-7
    Product Name
    Zirconium(IV) Butoxide (ca. 80% in 1-Butanol)
    Structure
    Category
    Salt
    Synonyms
    zirconium(4+); EINECS 213-995-3; ANW-41190; BSDOQSMQCZQLDV-UHFFFAOYSA-N; Butyl zirconate; ZIRCONIUMN-BUTOXIDE; NSC 509366; Zirconium(IV) butoxide solution; UNII-4Y12FB798J; butan-1-olate;
    IUPAC Name
    butan-1-olate;zirconium(4+);
    Molecular Weight
    383.684g/mol
    Molecular Formula
    C16H36O4Zr;
    Canonical SMILES
    CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Zr+4];
    InChI
    InChI=1S/4C4H9O.Zr/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4;
    InChI Key
    BSDOQSMQCZQLDV-UHFFFAOYSA-N;
    Application
    Condensation catalyst and cross-linking agent.
    Complexity
    13.1
    Covalently-Bonded Unit Count
    5
    EC Number
    213-995-3
    Exact Mass
    382.166g/mol
    Heavy Atom Count
    21
    Monoisotopic Mass
    382.166g/mol
    Rotatable Bond Count
    8
    Topological Polar Surface Area
    92.2A^2
    UNII
    4Y12FB798J
    Case Study

    Zirconium(IV) Butoxide as Precursor to Prepare Zirconia with Different Crystal Structures

    Teeparthi S R, et al. Scientific reports, 2018, 8(1), 5541.

    Zirconium(IV) butoxide is used as a precursor to produce zirconia, and nanocrystalline white and black zirconia are produced respectively through pyrolysis at different temperatures. The two types of zirconia have different crystal structures. Among them, white zirconia with a monoclinic crystal structure shows better photocatalytic degradation performance of methylene blue dye.
    Preparation of zirconium oxide by zirconium(IV) butoxide
    · A volume of 8 ml of zirconium butoxide was subjected to pyrolysis in a tubular furnace with a constant heating rate of 5 °C/min in the presence of air, at temperatures ranging from 900-1400 °C.
    · The precursor was maintained at the pyrolysis temperature for four hours, followed by cooling in the furnace to room temperature, leading to the conversion of the organic precursor to inorganic zirconia.
    · The resulting ZrO2 lumps were crushed using an agate mortar and pestle. Additionally, a comparison was made by directly pyrolyzing the precursor at 900 °C in a reduced atmosphere of 5% H2 + Ar to produce black ZrO2.
    · The investigation focused on characterizing samples processed under different temperature and atmospheric conditions to analyze the effects of crystal size, crystal structure, and defects on photocatalytic properties.

    Zirconium Butoxide for The Synthesis of ZrC-TiC Blends via Sol-Gel Method

    Umalas M, et al. Key Engineering Materials, 2013, 527, 62-67.

    Using titanium(IV) butoxide [Ti(OC4H9)4] and zirconium(IV) butoxide [Zr(OC4H9)4] as metal sources and hydroquinone as carbon source, binary mixtures of titanium carbide and zirconium carbide (ZrC-TiC) can be prepared through sol-gel treatment and carbothermal reduction. The binary solid carbide mixtures of (ZrC-TiC) are of particular interest in ultra-high temperature applications.
    Synthesis procedure of ZrC-TiC blends
    · The ZrCTiC polymeric precursor was prepared by dissolving Ti(OC4H9)4, Zr(OC4H9)4, AcAc and Hydroquinol in 10 ml 1-butanol with molar ratio of 0.01:0.01:0,044:0,048.
    · Initially, Ti(OC4H9)4 and Zr(OC4H9)4 were mixed and dissolved in 1-butanol under argon (Ar) in a round-bottom flask, and the solutions were heated at 50°C for 1 h to stir the metal alkoxides homogeneously.
    · Then, acetylacetone (AcAc) was dropped to at 50 °C the heated solution stirring for another 1 h.
    · The next step was an increase in the temperature of the solutions up to 80°C and addition of a hydroquinone. Afterwards the solutions were further heated up to reaction temperatures (120 °C) and concentrated by evaporation of the solvent.
    · The solution was subsequently dried at 150°C to obtain a dark red polymer gel powder. The dried ZrC-TiC precursor was annealed in a graphite boat using an alumina tube furnace in an inert atmosphere (argon) and/or a vacuum furnace at 40-1500 °C.

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