titanium(4+) ion diammonium hexafluoride

• ChemBase ID: 303701
• Molecular Formular: F6N2Ti
• Molecular Mass: 189.8708192
• Monoisotopic Mass: 189.94451363
• SMILES: [NH4+].[NH4+].[F-].[F-].[F-].[F-].[F-].[F-].[Ti+4]
• Canonical SMILES: [NH4+].[NH4+].[F-].[F-].[F-].[F-].[F-].[F-].[Ti+4]
• InChI: InChI=1S/6FH.2H3N.Ti/h6*1H;2*1H3;/q;;;;;;;;+4/p-4
• InChIKey: NMGYKLMMQCTUGI-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: titanium(4+) ion diammonium hexafluoride
• IUPAC Traditional name: titanium(4+) ion diammonium hexafluoride
• Synonyms: Ammonium hexafluorotitanate; 六氟钛酸铵

Database IDs

• CAS Number: 16962-40-6
• EC Number: 241-036-9
• MDL Number: MFCD00010888

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): -3.7525723
• LogD (pH = 7.4): -2.4393091
• Log P: -0.978
• Molar Refractivity: 16.3149 cm^3
• Polarizability: 2.1934314 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• European Hazard Symbols: X
• UN Number: UN3288
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22
• Safety Statements: 9-36/37-60
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A

Product Information

• Purity: 99.99% (metals basis)