Zirconyl chloride

Names
IUPAC name Dichloro(oxo)zirconium
Other names basic zirconium chloride dichlorooxozirconium zirconium oxychloride zirconium dichloride oxide Zirconium chloride oxide Chlorozirconyl
Identifiers
CAS Number	anhydrous: 7699-43-6 Y octahydrate: 13520-92-8 Y
3D model (JSmol)	Interactive image
ChemSpider	10606302 N
ECHA InfoCard	100.028.835
EC Number	603-909-6
PubChem CID	159678
UNII	anhydrous: T4294601O7 Y octahydrate: 2R4A27N98K Y
CompTox Dashboard (EPA)	DTXSID9049823
InChI InChI=1S/2ClH.8H2O.O.Zr/h2*1H;8*1H2;; Key: FUBACIUATZGHAC-UHFFFAOYSA-N
SMILES O=[Zr](Cl)Cl
Properties
Chemical formula	Cl2OZr
Molar mass	178.12 g·mol−1
Appearance	White crystals
Hazards
Lethal dose or concentration (LD, LC):
LD50 (median dose)	400 mg kg−1, rat (intraperitioneal)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is YN ?) Infobox references

Zirconyl chloride is the inorganic compound with the formula of [Zr₄(OH)₈(H₂O)₁₆]Cl₈(H₂O)₁₂, more commonly written ZrOCl₂·8H₂O, and referred to as zirconyl chloride octahydrate. It is a white solid and is the most common water-soluble derivative of zirconium. A compound with the formula ZrOCl₂ has not been characterized.^[1]

Production and structure

The salt is produced by hydrolysis of zirconium tetrachloride or treating zirconium oxide with hydrochloric acid.^[2] It adopts a tetrameric structure, consisting of the cation [Zr₄(OH)₈]⁸⁺. features four pairs of hydroxide bridging ligands linking four Zr⁴⁺ centers. The chloride anions are not ligands, consistent with the high oxophilicity of Zr(IV).^[1] The salt crystallizes as tetragonal crystals.^[3]