diiron zirconium

• ChemBase ID: 140941
• Molecular Formular: Fe2Zr
• Molecular Mass: 202.914
• Monoisotopic Mass: 201.774579
• SMILES: [Fe].[Fe].[Zr]
• Canonical SMILES: [Fe].[Fe].[Zr]
• InChI: InChI=1S/2Fe.Zr
• InChIKey: RCAUCPAXYOMLQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diiron zirconium
• IUPAC Traditional name: diiron zirconium
• Synonyms: ZrFe2; Zirconium-iron alloy; 锆铁合金

Database IDs

• CAS Number: 12023-45-9
• EC Number: 234-681-2
• PubChem SID: 162235178
• PubChem CID: 44153636

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Log P: -0.77
• Molar Refractivity: 0.0 cm^3
• Polarizability: 3.2480288 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3

Product Information

• Linear Formula: ZrFe2

DETAILS

Sigma Aldrich - 693812

Application
High pressure vessels for moblie storage of hydrogen. New storage systems based on AB2-type intermetallics with good hydrogen absorption parameters. Materials are typical representative of AB2 alloys.
Protocols & Applications
Hydrogen Storage Alloys