trioxo-2,4-dioxa-1,5-dialumina-3-titanapentane

• ChemBase ID: 143248
• Molecular Formular: Al2H2O5Ti
• Molecular Mass: 183.842956
• Monoisotopic Mass: 183.90124672
• SMILES: O=[AlH]O[Ti](=O)O[AlH]=O
• Canonical SMILES: O=[AlH]O[Ti](=O)O[AlH]=O
• InChI: InChI=1S/2Al.5O.Ti
• InChIKey: CNRZQDQNVUKEJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trioxo-2,4-dioxa-1,5-dialumina-3-titanapentane
• IUPAC Traditional name: trioxo-2,4-dioxa-1,5-dialumina-3-titanapentane
• Synonyms: Aluminum titanium oxide; Aluminum titanate; 氧化钛铝; 钛酸铝

Database IDs

• CAS Number: 12004-39-6
• EC Number: 234-456-9
• MDL Number: MFCD00064749
• PubChem SID: 24874096; 162237469; 24882605
• PubChem CID: 16213786

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3882
• LogD (pH = 7.4): 2.3882
• Log P: 2.3882
• Molar Refractivity: 7.0291 cm^3
• Polarizability: 10.967569 Å^3
• Polar Surface Area: 69.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: nanopowder; powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 37
• Safety Statements: 22-36
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98.5% trace metals basis
• Particle Size: <25 nm (BET)
• Linear Formula: Al2O3·TiO2

DETAILS

Sigma Aldrich - 634131

Packaging
5, 20, 100 g in glass bottle
Features and Benefits
Material has high reactivity, low thermal conductivity, high thermal shock resistance, and low thermal expansion.

Sigma Aldrich - 520209

Packaging
250 g in glass bottle
Features and Benefits
Material has high reactivity, low thermal conductivity, high thermal shock resistance, and low thermal expansion.