Zirconium(IV) acetate

Zirconium(IV) acetate or zirconyl acetate, or just zirconium acetate, usually refers to the chemical formula Zr₆O₄(OH)₄(CH₃CO₂)₁₂ (hexazirconium(IV) tetroxide tetrahydroxide dodecaacetate). It is a white solid formed by the reaction of zirconyl chloride with acetic acid. Claims of Zr(CH₃CO₂)₄ (zirconium(IV) acetate)^[1] have been superseded by experiments using X-ray crystallography.^[2]

Zirconium(IV) acetate

Identifiers
CAS Number	4229-34-9
3D model (JSmol)	Interactive image
ECHA InfoCard	100.021.982
CompTox Dashboard (EPA)	DTXSID20890586
InChI InChI=1S/12C2H4O2.4H2O.4O.6Zr/c12*1-2(3)4;;;;;;;;;;;;;;/h12*1H3,(H,3,4);4*1H2;;;;;;;;;;/q;;;;;;;;;;;;;;;;4*-2;6*+4/p-16 Key: RGWBNEKRIQDQRP-UHFFFAOYSA-A
SMILES [Zr+4].[Zr+4].[Zr+4].[Zr+4].[Zr+4].[Zr+4].[OH-].[OH-].[OH-].[OH-].[O-2].[O-2].[O-2].[O-2].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]
Properties
Chemical formula	Zr6O4(OH)4(CH3CO2)12
Molar mass	1387.896 g·mol−1
Appearance	white solid
Solubility in water	soluble
Related compounds
Related compounds	zirconium dioxide, zirconium(IV) chloride
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

The species Zr₆O₄(OH)₄(CH₃CO₂)₁₂ is a common precursor to metal-organic frameworks (MOFs).^[3] The structure of the 8.5 hydrate (Zr₆O₄(OH)₄(CH₃CO₂)₁₂·8.5H₂O) has been determined by EXAFS. The core can be described as a Zr₆ octahedron is face-capped with oxide and hydroxide ligands.^[2]