aluminium(3+) ion trititanium(3+) ion dodecachloride

• ChemBase ID: 303271
• Molecular Formular: AlCl12Ti3
• Molecular Mass: 596.018538
• Monoisotopic Mass: 590.45160969
• SMILES: [AlH3+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ti+3].[Ti+3].[Ti+3]
• Canonical SMILES: [AlH3+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ti+3].[Ti+3].[Ti+3]
• InChI: InChI=1S/Al.12ClH.3Ti/h;12*1H;;;/q+3;;;;;;;;;;;;;3*+3/p-12
• InChIKey: DGFMFXMKCUOBCD-UHFFFAOYSA-B

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion trititanium(3+) ion dodecachloride
• IUPAC Traditional name: aluminium(3+) ion trititanium(3+) ion dodecachloride
• Synonyms: Titanium aluminum chloride; Aluminum titanium chloride; Titanium(III) chloride-Aluminum(III) chloride, TiCl; 76.0-78.5%

Database IDs

• CAS Number: 12003-13-3
• EC Number: 234-421-8
• MDL Number: MFCD00145412

CALCULATED PROPERTIES

• Acid pKa: 4.07
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.45
• LogD (pH = 7.4): 1.45
• Log P: 1.45
• Molar Refractivity: 0.0 cm^3
• Polarizability: 2.1671338 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3260
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 14-34
• Safety Statements: 26-30-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A