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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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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)
D Skrtic et al.
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