zirconium(4+) ion tetrachloride

• ChemBase ID: 302857
• Molecular Formular: Cl4Zr
• Molecular Mass: 233.036
• Monoisotopic Mass: 229.78011472
• SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[Zr+4]
• Canonical SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[Zr+4]
• InChI: InChI=1S/4ClH.Zr/h4*1H;/q;;;;+4/p-4
• InChIKey: DUNKXUFBGCUVQW-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: zirconium(4+) ion tetrachloride
• IUPAC Traditional name: zirconium(4+) ion tetrachloride
• Synonyms: Zirconium tetrachloride; Zirconium(IV) chloride, Reactor Grade; 氯化锆(IV), 反应级

Database IDs

• CAS Number: 10026-11-6
• EC Number: 233-058-2
• MDL Number: MFCD00011306
• Merck Index: 1410174

CALCULATED PROPERTIES

• Acid pKa: -7.0
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8327582
• LogD (pH = 7.4): 0.8327582
• Log P: 0.6123387
• Molar Refractivity: 5.6156 cm^3
• Polarizability: 2.1090326 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in alcohol, ether. Decomposes in water forming ZrOCl2 and HCl
• Apperance: Powder
• Melting Point: 331°C subl.
• Density: 2.803

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: ZH7175000
• European Hazard Symbols: Corrosive (C); X
• UN Number: UN2503
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 14-22-34
• Safety Statements: 8-20-26-30-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Hazard statements: H314-H318-H302
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 99.5+% (metals basis)