tetraiodozirconium

• ChemBase ID: 130258
• Molecular Formular: I4Zr
• Molecular Mass: 598.84188
• Monoisotopic Mass: 597.522596
• SMILES: I[Zr](I)(I)I
• Canonical SMILES: I[Zr](I)(I)I
• InChI: InChI=1S/4HI.Zr/h4*1H;/q;;;;+4/p-4
• InChIKey: XLMQAUWIRARSJG-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraiodozirconium
• IUPAC Traditional name: tetraiodozirconium
• Synonyms: Zirconium(IV) iodide; zirconium tetraiodide; Zirconium(IV) iodide; 碘化锆(IV)

Database IDs

• CAS Number: 13986-26-0
• EC Number: 237-780-9
• MDL Number: MFCD00049641
• PubChem SID: 162224538; 24864930
• PubChem CID: 518853
• Chemspider ID: 75903
• Wikipedia Title: Zirconium(IV)_iodide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7344
• LogD (pH = 7.4): 3.7344
• Log P: 3.7344
• Molar Refractivity: 53.3632 cm^3
• Polarizability: 27.888374 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: soluble in water
• Apperance: orange-yellow crystalline; hygroscopic; powder
• Melting Point: 499 °C; (triple point)
• Boiling Point: 431 °C (sublimes)
• Density: 4.580 g/cm^3, solid

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 22-26-27-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• NFPA704:
  

  0

  3

  2
• GHS Hazard statements: H314
• GHS Precautionary statements: 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 3260 8/PG 2

Product Information

• Purity: 99.9% trace metals basis
• Grade: anhydrous
• Linear Formula: ZrI4

DETAILS

Sigma Aldrich - 400572

Packaging
1, 5 g in ampule