oxozirconiumbis(ylium) hydrate dinitrate

• ChemBase ID: 147955
• Molecular Formular: H2N2O8Zr
• Molecular Mass: 249.24848
• Monoisotopic Mass: 247.88581903
• SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O=[Zr+2]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[Zr+2]=O.O
• InChI: InChI=1S/2NO3.H2O.O.Zr/c2*2-1(3)4;;;/h;;1H2;;/q2*-1;;;+2
• InChIKey: BGMQNYCWALSARE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxozirconiumbis(ylium) hydrate dinitrate
• IUPAC Traditional name: oxozirconiumbis(ylium) hydrate dinitrate
• Synonyms: Zirconyl nitrate hydrate; Zirconium(IV) oxynitrate hydrate; 硝酸锆酰 水合物; 硝酸氧锆 水合物

Database IDs

• CAS Number: 14985-18-3
• EC Number: 237-529-3
• MDL Number: MFCD00149896
• PubChem SID: 24861411; 24854506; 24863760; 162242136
• PubChem CID: 16211674

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3479722
• LogD (pH = 7.4): -2.3479848
• Log P: 0.028413763
• Molar Refractivity: 9.8534 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 68.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder; white powder and chunks

Safety Information

• European Hazard Symbols: Corrosive (C); Oxidising (O)
• UN Number: 3085
• German water hazard class: 1
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 8-34
• Safety Statements: 17-26-28-36/37/39-45
• GHS Pictograms: GHS03; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H314
• GHS Precautionary statements: P220-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
• RID/ADR: UN 3085 5.1/PG 2

Product Information

• Purity: ~27% (Zr, gravimetric); 99%; 99.99% trace metals basis
• Grade: purum; technical grade
• Compostion: Degree of hydration, ~1; Degree of hydration, ~6
• Impurities: ~32% water
• Linear Formula: ZrO(NO3)2 · xH2O

DETAILS

Sigma Aldrich - 346462

Packaging
100, 500 g in poly bottle

Sigma Aldrich - 243493

Packaging
100, 500 g in poly bottle
5 g in glass bottle

Sigma Aldrich - 380679

Packaging
10, 50 g in poly bottle

Sigma Aldrich - 96615

Other Notes
Sales restrictions may apply