titanium(4+) ion diamine tetrachloride

• ChemBase ID: 303432
• Molecular Formular: Cl4N2Ti
• Molecular Mass: 217.6924
• Monoisotopic Mass: 215.82950503
• SMILES: N.N.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]
• Canonical SMILES: N.N.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]
• InChI: InChI=1S/4ClH.2H3N.Ti/h4*1H;2*1H3;/q;;;;;;+4/p-4
• InChIKey: OAVZMJMVTGHHAL-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: titanium(4+) ion diamine tetrachloride
• IUPAC Traditional name: titanium(4+) ion diamine tetrachloride
• Synonyms: Diamminetetrachlorotitanate(IV); 二氨四氯化钛(IV)

Database IDs

• CAS Number: 15719-81-0
• MDL Number: MFCD00145368

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.7525723
• LogD (pH = 7.4): -2.4393091
• Log P: -0.978
• Molar Refractivity: 15.5149 cm^3
• Polarizability: 2.2600515 Å^3
• Polar Surface Area: 13.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 240°C dec.
• Boiling Point: 120°C/0.1mm subl.

Safety Information

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

Product Information

• Purity: 99%