dichloro(oxo)zirconium octahydrate

• ChemBase ID: 105068
• Molecular Formular: Cl2H16O9Zr
• Molecular Mass: 322.25164
• Monoisotopic Mass: 319.92184145
• SMILES: O.O.O.O.O.O.O.O.Cl[Zr](=O)Cl
• Canonical SMILES: Cl[Zr](=O)Cl.O.O.O.O.O.O.O.O
• InChI: InChI=1S/2ClH.8H2O.O.Zr/h2*1H;8*1H2;;/q;;;;;;;;;;;+2/p-2
• InChIKey: IZYKRMGFEBSOSO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(oxo)zirconium octahydrate
• IUPAC Traditional name: zirconium oxychloride octahydrate
• Synonyms: Zirconyl Chloride; Chlorozirconyl; Dichlorooxozirconium; ZIRCONYL CHLORIDE OCTAHYDRATE; Zirconium(IV) oxychloride solution; Zirconium atomic spectroscopy standard concentrate 1.00 g Zr; Zirconium(IV) oxide chloride; Zirconyl chloride octahydrate; Zirconium(IV) oxychloride octahydrate; Zirconium(IV) oxychloride octahydrate; Zirconyl chloride octahydrate; 氯氧化锆(IV) 溶液; 锆原子光谱分析标准浓缩液 1.00g Zr; 氧氯化锆 八水合物; 氯氧化锆(IV); 氯氧化锆(IV) 八水合物; 氧氯化锆(IV) 八水合物; 氧氯化锆 八水合物

Database IDs

• CAS Number: 13520-92-8
• EC Number: 231-717-9
• MDL Number: MFCD00149898
• PubChem SID: 162092061; 24845380; 24853428; 24859036
• PubChem CID: 159678

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.9176
• LogD (pH = 7.4): 0.9176
• Log P: 0.9176
• Molar Refractivity: 13.7155 cm^3
• Polarizability: 9.818194 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble; H2O: soluble0.1 g/mL, clear, colorless
• Density: 1.91 g/ml

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• RTECS: ZH7250000
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3260; 3264
• German water hazard class: 1; 3
• Hazard Class: 8
• Packing Group: 2; 3; II
• Australian Hazchem: 2X
• Risk Statements: 34; 34-37; R:15-17
• Safety Statements: 26-27-36/37/39; 26-36/37/39-45; S:7/8
• EU Classification: C2
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3260 8/PG 2; UN 3264 8/PG 3

Product Information

• Purity: ≥99.0% (AT); ≥99.5%; 98%
• Grade: puriss. p.a.; reagent grade
• Suitability: passes test for suitability as micro reagent
• Impurities: ~0.5% Hf; ≤0.001% heavy metals (as Pb)
• Cation Traces: Ca: ≤100 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤10 mg/kg; Cu: ≤5 mg/kg; Fe: ≤10 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤10 mg/kg; Ti: ≤50 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: sulfate (SO42-): ≤50 mg/kg
• Shelf Life: (limited shelf life, expiry date on the label)
• Quality: ampule
• Linear Formula: ZrOCl2; ZrOCl2 · 8H2O

DETAILS

MP Biomedicals - 02158319

Octahydrate

Sigma Aldrich - 02763

Preparation Note
prepared with ZrOCl2, HCl and H2O

Sigma Aldrich - 224316

Packaging
5, 100, 500 g in poly bottle
Application
Building block for a new series of mixed zirconium phosphonates which may have uses in catalysis, ion exchange or photophysics.1