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Merck
CN

31670

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:
13520-92-8
Molecular Weight:
322.25
UNSPSC Code:
12352112
PubChem Substance ID:
329753877
EC Number:
231-717-9
MDL number:
MFCD00149898
Assay:
≥99.5%
Form:
liquid

Key Documents

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InChI key

IZYKRMGFEBSOSO-UHFFFAOYSA-L

InChI

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

SMILES string

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

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

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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.

wgk

WGK 1

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Skin Corr. 1B

Storage Class

8B - Non-combustible corrosive hazardous materials

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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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)
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)
Refinement of the crystal structure of zirconyl chloride octahydrate.
Mak TCW.
Canadian Journal of Chemistry, 46(22), 3491-3497 (1968)
Syed A Nabi et al.
Journal of hazardous materials, 172(1), 202-207 (2009-08-07)
Samples of zirconium(IV)iodotungstate have been synthesized under varying mixing order and ratios of aqueous solution of potassium iodate, sodium tungstate and zirconium oxychloride at pH 1. A tentative formula was proposed on the basis of chemical composition, FTIR and thermogravimetric
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
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