dialuminium(3+) ion titaniumuidepentakis(olate)

• ChemBase ID: 303006
• Molecular Formular: Al2H6O5Ti
• Molecular Mass: 187.874716
• Monoisotopic Mass: 187.93254685
• SMILES: [O-][Ti-]([O-])([O-])([O-])[O-].[AlH3+3].[AlH3+3]
• Canonical SMILES: [O-][Ti-]([O-])([O-])([O-])[O-].[AlH3+3].[AlH3+3]
• InChI: InChI=1S/2Al.5O.Ti/q2*+3;6*-1
• InChIKey: NIHWKTPTBPPIFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dialuminium(3+) ion titaniumuidepentakis(olate)
• IUPAC Traditional name: dialuminium(3+) ion titaniumuidepentakis(olate)
• Synonyms: Aluminum titanate; Aluminum titanium oxide; 氧化钛铝

Database IDs

• CAS Number: 12004-39-6
• EC Number: 234-456-9
• MDL Number: MFCD00064749

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.681074
• LogD (pH = 7.4): -2.681001
• Log P: -2.681
• Molar Refractivity: 7.2145 cm^3
• Polarizability: 7.0420866 Å^3
• Polar Surface Area: 115.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: -100 Mesh Powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H335
• GHS Precautionary statements: P261-P304+P340-P312-P405-P403+P233-P501A

Product Information

• Purity: 99.5% (metals basis)