dioxo-2,4-dioxa-3-nickela-1,5-dilanthanapentane

• ChemBase ID: 143643
• Molecular Formular: La2NiO4
• Molecular Mass: 400.502
• Monoisotopic Mass: 399.72770738
• SMILES: O=[La]O[Ni]O[La]=O
• Canonical SMILES: O=[La]O[Ni]O[La]=O
• InChI: InChI=1S/2La.Ni.4O
• InChIKey: VJMGRMCCSVDPHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dioxo-2,4-dioxa-3-nickela-1,5-dilanthanapentane
• IUPAC Traditional name: dioxo-2,4-dioxa-3-nickela-1,5-dilanthanapentane
• Synonyms: LaNO; Lanthanum nickel oxide; Lanthanum nickelate

Database IDs

• CAS Number: 12031-41-3
• PubChem SID: 162237861
• PubChem CID: 71311024

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.9104
• LogD (pH = 7.4): -0.9104
• Log P: -0.9104
• Molar Refractivity: 5.5862 cm^3
• Polarizability: 18.478464 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: nanopowder
• Melting Point: >400 °C

Safety Information

• German water hazard class: 3
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H332

Product Information

• Particle Size: <100 nm (BET)
• Compostion: La2NiO4
• Surface Area: BET surf. area 5-10 m2/g
• Linear Formula: La2NiO4

DETAILS

Sigma Aldrich - 729175

Packaging
10 g in glass bottle