zirconium(4+) ion octahydrate dichloride oxidandiide

• ChemBase ID: 295239
• Molecular Formular: Cl2O9Zr
• Molecular Mass: 306.1246
• Monoisotopic Mass: 303.79664094
• SMILES: O.O.O.O.O.O.O.O.[O-2].[Cl-].[Cl-].[Zr+4]
• Canonical SMILES: O.O.O.O.O.O.O.O.[O-2].[Cl-].[Cl-].[Zr+4]
• InChI: InChI=1S/2ClH.8H2O.O.Zr/h2*1H;8*1H2;;/q;;;;;;;;;;-2;+4/p-2
• InChIKey: GKDATSDYQKXWPA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zirconium(4+) ion octahydrate dichloride oxidandiide
• IUPAC Traditional name: zirconium(4+) ion octahydrate dichloride oxidandiide
• Synonyms: Zirconium oxychloride; Zirconyl chloride; Zirconium dichloride oxide octahydrate; Zirconium dichloride oxide hydrate, Puratronic®; 八水合二氯氧化锆; 水合二氯氧化锆, Puratronic®

Database IDs

• CAS Number: 13520-92-8; 15461-27-5
• EC Number: 231-717-9
• MDL Number: MFCD00149897; MFCD00149898
• Merck Index: 1410184
• PubChem SID: 180680770
• PubChem CID: 19006109

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 3.7 cm^3
• Polarizability: 1.4714895 Å^3
• Polar Surface Area: 25.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 15.7

PROPERTIES

Physical Property

• Solubility: Soluble in water, alcohol
• Apperance: Crystalline Aggregates; Lump
• Melting Point: 400°C dec.
• Density: 1.91

Safety Information

• European Hazard Symbols: Corrosive (C); X
• UN Number: UN3260
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 22-34-68
• Safety Statements: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS08
• GHS Hazard statements: H301-H314-H318-H341; H314-H318-H341-H303
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 98%; 99.9% (metals basis); 99.9985% (metals basis)