oxo[(oxoferrio)oxy]iron; oxonickel

• ChemBase ID: 142019
• Molecular Formular: Fe2NiO4
• Molecular Mass: 234.381
• Monoisotopic Mass: 233.78487638
• SMILES: O=[Fe]O[Fe]=O.O=[Ni]
• Canonical SMILES: O=[Fe]O[Fe]=O.[Ni]=O
• InChI: InChI=1S/2Fe.Ni.4O
• InChIKey: NQNBVCBUOCNRFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxo[(oxoferrio)oxy]iron; oxonickel
• IUPAC Traditional name: ferric oxide; nickel(II) oxide
• Synonyms: Diiron nickel tetraoxide; Iron nickel oxide; 四氧镍酸二铁; 氧化镍铁

Database IDs

• CAS Number: 12168-54-6
• EC Number: 235-335-3
• MDL Number: MFCD00016254
• PubChem SID: 24882832; 162236251
• PubChem CID: 16217731

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.3684
• LogD (pH = 7.4): 0.3684
• Log P: 0.3684
• Molar Refractivity: 4.236 cm^3
• Polarizability: 8.774179 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: nanopowder
• Density: 5.368 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 49-43
• Safety Statements: 53-36/37-45
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H317
• GHS Precautionary statements: P280
• 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

Product Information

• Purity: ≥98% trace metals basis
• Particle Size: <50 nm
• Bulk Density: 0.89 g/mL
• Linear Formula: Fe2NiO4

DETAILS

Sigma Aldrich - 637149

Packaging
25, 100 g in glass bottle
Physical form
Nearly spherical crystalline morphology