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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)
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.
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
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