dioxo-2,4,6-trioxa-1,7-dibisma-3,5-dititanaheptane-1,7-dione

• ChemBase ID: 136813
• Molecular Formular: Bi2O7Ti2
• Molecular Mass: 625.6906
• Monoisotopic Mass: 625.82109094
• SMILES: O=[Ti](O[Ti](=O)O[Bi]=O)O[Bi]=O
• Canonical SMILES: O=[Bi]O[Ti](=O)O[Ti](=O)O[Bi]=O
• InChI: InChI=1S/2Bi.7O.2Ti
• InChIKey: RXSQQXALSYZCOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dioxo-2,4,6-trioxa-1,7-dibisma-3,5-dititanaheptane-1,7-dione
• IUPAC Traditional name: dioxo-2,4,6-trioxa-1,7-dibisma-3,5-dititanaheptane-1,7-dione
• Synonyms: Bismuth(III) titanate; 钛酸铋(III)

Database IDs

• CAS Number: 12048-51-0
• EC Number: 234-986-0
• MDL Number: MFCD00136014
• PubChem SID: 162231081; 24865210
• PubChem CID: 71309993

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.292
• LogD (pH = 7.4): -0.292
• Log P: -0.292
• Molar Refractivity: 9.8222 cm^3
• Polarizability: 27.72568 Å^3
• Polar Surface Area: 95.97 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• German water hazard class: 2
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Particle Size: -325 mesh
• Linear Formula: Bi2O3·2TiO2