Zirconium(IV) tert-butoxide

• Catalog Number: ACM2081121-1
• Product Name: Zirconium(IV) tert-butoxide
• CAS: 2081-12-1
• Category: Main Products
• Synonyms: Tetrakis(tert-butanolato)zirconium
• IUPAC Name: 2-Methylpropan-2-ol;zirconium
• Molecular Weight: 387.71
• Molecular Formula: C16H40O4Zr
• Canonical SMILES: CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr]
• InChI: InChI=1S/4C4H10O.Zr/c4*1-4(2,3)5;/h4*5H,1-3H3
• InChI Key: WRMYASGYMABHCC-UHFFFAOYSA-N
• Melting Point: 3 °C
• Flash Point: 185 °F
• Density: 0.985 g/mL at 25 °C (lit.)
• Appearance: Slightly yellow liquid
• Application: Zirconium tert-butoxide (ZTB) precursor is used to deposit thin films of Zirconia and other zirconium containing films by atomic layer deposition and chemical vapor deposition methods. Zirconium oxide thin films can also be grown at low temperatures, ranging from 150°C to 300°C, by the presence of moisture along with ZTB or by UV-enhanced atomic layer deposition (UV-ALD) process.
• Storage: 2-8 °C
• Complexity: 154
• Covalently-Bonded Unit Count: 5
• Exact Mass: 386.197359
• Form: liquid
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 4
• Heavy Atom Count: 21
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 4
• MDL Number: MFCD00075085
• Monoisotopic Mass: 386.197359
• Packaging: 25 g in stainless steel cylinder
• Quality Level: 100
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 80.9 Ų

Custom Reviews

March 7, 2023

An efficient catalyst

Zirconium(IV) tert-butoxide can be used to catalyze the synthesis of chiral N- tert-butane sulfinyl trifluoromethyl ketone imine.

Custom Q&A

What is the molecular formula of Zirconium(IV) tert-butoxide?

The molecular formula of Zirconium(IV) tert-butoxide is C16H40O4Zr.

What is the molecular weight of Zirconium(IV) tert-butoxide?

The molecular weight of Zirconium(IV) tert-butoxide is 387.71 g/mol.

What is the IUPAC name of Zirconium(IV) tert-butoxide?

The IUPAC name of Zirconium(IV) tert-butoxide is 2-methylpropan-2-ol;zirconium.

What is the InChI of Zirconium(IV) tert-butoxide?

The InChI of Zirconium(IV) tert-butoxide is InChI=1S/4C4H10O.Zr/c4*1-4(2,3)5;/h4*5H,1-3H3.

What is the InChIKey of Zirconium(IV) tert-butoxide?

The InChIKey of Zirconium(IV) tert-butoxide is WRMYASGYMABHCC-UHFFFAOYSA-N.

What is the canonical SMILES of Zirconium(IV) tert-butoxide?

The canonical SMILES of Zirconium(IV) tert-butoxide is CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr].

What is the CAS number of Zirconium(IV) tert-butoxide?

The CAS number of Zirconium(IV) tert-butoxide is 2081-12-1.

What is the European Community (EC) number of Zirconium(IV) tert-butoxide?

The European Community (EC) number of Zirconium(IV) tert-butoxide is 629-227-9.

What is the hydrogen bond donor count of Zirconium(IV) tert-butoxide?

The hydrogen bond donor count of Zirconium(IV) tert-butoxide is 4.

What is the hydrogen bond acceptor count of Zirconium(IV) tert-butoxide?

The hydrogen bond acceptor count of Zirconium(IV) tert-butoxide is 4.

Case Study

Synthesis of Hybrid Microspheres from Zirconium Tetra-Butoxide and Organic Copolymers

Toledo L, et al. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2018, 546, 91-98.

Hybrid microspheres can be successfully prepared from hydrated zirconia and organic copolymers, and the microspheres can be used in applications involving surface treatment, such as catalysis, adsorption, ion exchange, etc. The synthesis of hybrid microspheres is divided into two steps, namely the synthesis of P(ClVBTA-co-HEMA) microspheres and hybridization with the inorganic precursor zirconium tetra-butoxide [Zr(ButO-)4].
Synthesis of hybrid microspheres
· The synthesis of the poly(4-vinyl benzyl trimethyl ammonium chloride-co-2-hydroxy ethyl methacrylate), P(ClVBTA-co-HEMA), and microspheres was carried out by emulsion polymerization in a water-inoil (w/o) system.
· The synthesis of hybrid microspheres was carried out by impregnation of polymer microspheres with an inorganic precursor (IP) of Zr (ButO-)4, followed by a sol-gel reaction, leading to the oxide formation.
· The impregnation step included the study of the chemical precursor concentration (30-80 wt%), the solvent for impregnation (ethanol, 1,4-dioxane, 2-propanol, 1-butanol) and time (2-5 days).
· The polymeric microspheres were submerged in a solution of the inorganic precursor at room temperature and stirred at 250 rpm. After removing excess inorganic precursors by filtration, the impregnated microspheres were immersed in an ethanol/water 1:1 solution at 250 rpm for 24 h and finally dried in a 40 °C oven for 24 h.