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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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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)
S Ghosh et al.
Mechanisms of ageing and development, 62(3), 245-254 (1992-03-01)
Aqueous solutions of zirconium oxychloride were added to human peripheral blood lymphocyte culture. Cultures were set up from healthy donors of both sexes belonging to age groups of 0-10, 11-20, 21-30, 31-40, 41-50 and 51-60 years. Airdried Giemsa schedule was
Jaiprakash N Sangshetti et al.
Bioorganic & medicinal chemistry letters, 20(2), 742-745 (2009-12-17)
An improved protocol for the synthesis of a novel series of 1,2,4-triazines possessing 1,2,3-triazole and piperidine ring using 1-(1-substituted piperidin-4-yl)-1H-1,2,3-triazole-4-carbohydrazide, benzil, ammonium acetate and ZrOCl(2).8H(2)O as a catalyst in ethanol-water has been presented. The yields obtained are in the range
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