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:
Molecular Weight:
322.25
UNSPSC Code:
12352112
PubChem Substance ID:
EC Number:
231-717-9
MDL number:
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
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.
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wgk
WGK 1
signalword
Danger
hcodes
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)