bis(dioxotitanium); oxo[(oxolanthanio)oxy]lanthanum

• ChemBase ID: 136878
• Molecular Formular: La2O7Ti2
• Molecular Mass: 485.5408
• Monoisotopic Mass: 485.67300094
• SMILES: O=[Ti]=O.O=[Ti]=O.O=[La]O[La]=O
• Canonical SMILES: O=[La]O[La]=O.O=[Ti]=O.O=[Ti]=O
• InChI: InChI=1S/2La.7O.2Ti
• InChIKey: FYVOVQZAOMJMJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(dioxotitanium); oxo[(oxolanthanio)oxy]lanthanum
• IUPAC Traditional name: oxo[(oxolanthanio)oxy]lanthanum; bis(titanium dioxide)
• Synonyms: Lanthanum titanate; 钛酸镧

Database IDs

• CAS Number: 12031-47-9
• EC Number: 234-751-2
• MDL Number: MFCD00016167
• PubChem SID: 162231145
• PubChem CID: 71310002

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.4316
• LogD (pH = 7.4): -0.4316
• Log P: -0.4316
• Molar Refractivity: 4.236 cm^3
• Polarizability: 14.244322 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Particle Size: -325 mesh
• Empirical Formula (Hill Notation): La2O7Ti2