(dialumanylidynetitaniumylidyne)alumane

• ChemBase ID: 303107
• Molecular Formular: Al3H6Ti
• Molecular Mass: 134.859254
• Monoisotopic Mass: 134.93951238
• SMILES: [AlH2]#[Ti](#[AlH2])#[AlH2]
• Canonical SMILES: [AlH2]#[Ti](#[AlH2])#[AlH2]
• InChI: InChI=1S/3Al.Ti
• InChIKey: OQPDWFJSZHWILH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dialumanylidynetitaniumylidyne)alumane
• IUPAC Traditional name: (dialumanylidynetitaniumylidyne)alumane
• Synonyms: Titanium aluminide; 铝化钛

Database IDs

• CAS Number: 12004-78-3
• EC Number: 234-461-6
• MDL Number: MFCD00054094

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.6
• LogD (pH = 7.4): -0.6
• Log P: -0.6
• Molar Refractivity: 0.0 cm^3
• Polarizability: 9.378679 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: -325 Mesh Powder, Intermetallic

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN3178
• Hazard Class: 4.1
• Packing Group: II
• Risk Statements: 11-36/37/38
• Safety Statements: 26
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P241-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 99.5% (metals basis)