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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:
13520-92-8
Molecular Weight:
322.25
EC Number:
231-717-9
MDL number:
MFCD00149898
UNSPSC Code:
12352112
PubChem Substance ID:
329753877
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.[1]

Application

Zirconium(IV) oxychloride octahydrate (Zirconyl chloride octahydrate, Zirconium(IV) oxide chloride, ZrOCl2.8H2O) may be used for the preparation of 2-substituted benzothiazoles.[2] ZrOCl2.8H2O dissolved in ethanol may be employed as a standard green solvent during the synthesis of quinoxaline derivatives.[3]

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Skin Corr. 1B

Storage Class

8B - Non-combustible corrosive hazardous materials

wgk_germany

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

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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.
Toxicology letters, 55(2), 195-201 (1991-02-01)
Zirconium oxychloride was administered as a single oral dose to laboratory-bred Swiss albino mice corresponding to 1/2, 1/6 and 1/20 of the LD50 values. Bone marrow cells were screened after 6, 12 and 24h for chromosomal aberrations following an air-drying-Giemsa
R Scholtens et al.
The International journal of artificial organs, 5(1), 33-36 (1982-01-01)
Patients suffering from primary hyperoxaluria show elevated plasma concentrations of oxalic acid and glyoxylic acid. The in vitro adsorption of these compounds into activated charcoal, a series of neutral and ion exchange resins and onto hydrous zirconium oxide has been
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