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Merck
CN

333948

Zirconium(IV) butoxide solution

80 wt. % in 1-butanol

Synonym(s):

Tetrabutyl zirconate solution

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About This Item

Linear Formula:
Zr(OC4H9)4
CAS Number:
1071-76-7
Molecular Weight:
383.68
Beilstein:
4132649
MDL number:
MFCD00048765
UNSPSC Code:
12352103
PubChem Substance ID:
24860204
NACRES:
NA.23

Key Documents

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form

solution

Quality Level

100

reaction suitability

core: zirconium
reagent type: catalyst

concentration

80 wt. % in 1-butanol

refractive index

n20/D 1.466

density

1.049 g/mL at 25 °C

SMILES string

CCCCO[Zr](OCCCC)(OCCCC)OCCCC

InChI

1S/4C4H9O.Zr/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4

InChI key

BSDOQSMQCZQLDV-UHFFFAOYSA-N

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General description

Zirconium(IV) butoxide solution is a high-purity organometallic reagent, consisting of 80 wt.% zirconium butoxide dissolved in 1-butanol. It is primarily as a catalyst and precursor for the synthesis of advanced ceramic materials, thin films, and nanostructures. Its controlled decomposition and film-forming properties zirconium(IV) butoxide used in the fabrication of zirconia-based (ZrO₂) coatings, aerogels, and nanomaterials.

Application

Used in an unconventional method to prepare a gel of CeO2-stabilized zirconia polycrystals that have promising applications as protective coatings of steel and ferrous alloys.
Zirconium(IV) butoxide can be used as:
  • A precursor in the sol-gel synthesis of zirconium carbide (ZrC) for applications in energy storage devices, including supercapacitors.
  • A precursor for synthesizing zirconia (ZrO₂) nanolayers. These nanolayers are in situ grown on polyimide (PI) nanofibers to fabricate hybrid separators for lithium-ion batteries (LIBs).
  • A precursor to synthesize zirconia (ZrO₂) nanocrystals via Solvothermal method.
  • A precursor to synthesize zirconium carbide (ZrC) via sol-gel method.

Features and Benefits

  • High Thermal Stability: Enables formation of thermally stable ceramic coatings and films.
  • Easy handling: Often provided as a stabilized solution (in alcohol) for ease of handling.
  • Solubility: Soluble in organic solvents like alcohols and hydrocarbons, making it suitable for sol-gel processing.

Signal Word

Danger

Hazard Statements

H226,H315,H318,H335,H336

Hazard Classifications

Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Central nervous system, Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

100.4 °F - closed cup

Flash Point(C)

38 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SDBB4452
STBK8160
STBK0820
STBJ3100
STBG5904V

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Novel ZrO2@ Polyimde nano-microspheres-coated polyethylene separators for high energy density and high safety Li-ion battery
Wang, Zhaoyi and Li, et al.
Materials Today Energy, 30, 101155-101155 (2022)
Designed single-phase ZrO 2 nanocrystals obtained by solvothermal syntheses
Santos, Mayara S, et al.
CrystEngComm, 22, 1802-1811 (2020)
DiMaggio, R. et al.
Chemistry of Materials, 10, 3839-3839 (1998)
Microstructural Property Investigation of LSM-4Sc4YSZ Novel Composite Electrode Prepared Using All-Alkoxide Sol-Gel and Solid-State Reaction Methods for Solid Oxide Electrochemical Cells
Diamansil, Pearl Jamela B and Cervera, Rinlee Butch M
Key Engineering Materials, 950, 77-83 (2023)

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