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31670

Sigma-Aldrich

Zirconium(IV) oxychloride octahydrate

puriss. p.a., ≥99.5%

Synonym(s):

Zirconium(IV) oxide chloride, Zirconyl chloride octahydrate

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About This Item

Linear Formula:
ZrOCl2 · 8H2O
CAS Number:
Molecular Weight:
322.25
EC Number:
MDL number:
UNSPSC Code:
12352112
PubChem Substance ID:
Assay:
≥99.5%
form:
liquid

grade

puriss. p.a.

Assay

≥99.5%

form

liquid

impurities

≤0.001% heavy metals (as Pb)

anion traces

sulfate (SO42-): ≤50 mg/kg

cation traces

Fe: ≤10 mg/kg
Ti: ≤50 mg/kg

suitability

passes test for suitability as micro reagent

SMILES string

O.O.O.O.O.O.O.O.Cl[Zr](Cl)=O

InChI

1S/2ClH.8H2O.O.Zr/h2*1H;8*1H2;;/q;;;;;;;;;;;+2/p-2

InChI key

IZYKRMGFEBSOSO-UHFFFAOYSA-L

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General description

Crystal structure studies of zirconium(IV) oxychloride octahydrate (zirconyl chloride octahydrate, zirconium(IV) oxide chloride) confirms the presence of [Zr4(OH)8(H2O)16]8+ tetranuclear complex in its crystals. Crystal structure has been evaluated by least-squares method with new three-dimensional data.

Application

Zirconium(IV) oxychloride octahydrate (Zirconyl chloride octahydrate, Zirconium(IV) oxide chloride, ZrOCl2.8H2O) may be used for the preparation of 2-substituted benzothiazoles. ZrOCl2.8H2O dissolved in ethanol may be employed as a standard green solvent during the synthesis of quinoxaline derivatives.

Pictograms

Corrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8B - Non-combustible corrosive hazardous materials

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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A new catalytic method for eco-friendly synthesis of quinoxalines by zirconium (IV) oxide chloride octahydrate under mild conditions.
Jafarpour M, et al.
Letters in Organic Chemistry, 8(3), 202-209 (2011)
Zirconium (IV) oxide chloride and anhydrous copper (II) sulfate mediated synthesis of 2-substituted benzothiazoles.
Moghaddam FM, et al.
Heteroatom Chem., 17(2), 136-141 (2006)
Refinement of the crystal structure of zirconyl chloride octahydrate.
Mak TCW.
Canadian Journal of Chemistry, 46(22), 3491-3497 (1968)
D Skrtic et al.
Dental materials : official publication of the Academy of Dental Materials, 12(5), 295-301 (1996-09-01)
The rationale for this study was based on the hypothesis that the mechanical strength of methacrylate composites containing the bioactive filler, amorphous calcium phosphate, can be enhanced by synthesizing this filler in the presence of glass-forming agents. Specifically, this study
D R Mulinari et al.
Carbohydrate research, 345(13), 1865-1871 (2010-07-06)
Surface modification of natural fibers has been made using different methods. In this paper, cellulose fibers from sugarcane bagasse were bleached and modified by zirconium oxychloride in situ. The chemically modified cellulose fibers were compared to those of bleached ones.

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