zirconium(4+) ion hydrate dinitrate oxidandiide

• ChemBase ID: 302930
• Molecular Formular: H2N2O8Zr
• Molecular Mass: 249.24848
• Monoisotopic Mass: 247.88581903
• SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[O-2].[Zr+4]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].O.[O-2].[Zr+4]
• InChI: InChI=1S/2NO3.H2O.O.Zr/c2*2-1(3)4;;;/h;;1H2;;/q2*-1;;-2;+4
• InChIKey: UMTLMVASHFCVGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: zirconium(4+) ion hydrate dinitrate oxidandiide
• IUPAC Traditional name: zirconium(4+) ion hydrate dinitrate oxidandiide
• Synonyms: Zirconium dinitrate oxide hydrate, Puratronic®; Zirconyl nitrate; Zirconium oxynitrate; Zirconium dinitrate oxide hydrate; 二硝酸氧化锆水合物, Puratronic®; 二硝酸氧化锆水合物

Database IDs

• CAS Number: 14985-18-3
• EC Number: 237-529-3
• MDL Number: MFCD00149896

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8368004
• LogD (pH = 7.4): 0.8368004
• Log P: 0.8368004
• Molar Refractivity: 8.3471 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 66.2 Å^2

PROPERTIES

Physical Property

• Apperance: Crystalline; Powder

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: UN1477
• Hazard Class: 5.1
• Packing Group: III
• Risk Statements: 8-36/38
• Safety Statements: 26
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS07
• GHS Hazard statements: H272-H315-H319-H303
• GHS Precautionary statements: P221-P210-P305+P351+P338-P302+P352-P321-P501A

Product Information

• Purity: 99.9% (metals basis); 99.994% (metals basis)