titanium(3+) ion trifluoride

• ChemBase ID: 302939
• Molecular Formular: F3Ti
• Molecular Mass: 104.8622096
• Monoisotopic Mass: 104.94315596
• SMILES: [F-].[F-].[F-].[Ti+3]
• Canonical SMILES: [F-].[F-].[F-].[Ti+3]
• InChI: InChI=1S/3FH.Ti/h3*1H;/q;;;+3/p-3
• InChIKey: NLPMQGKZYAYAFE-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: titanium(3+) ion trifluoride
• IUPAC Traditional name: titanium(3+) ion trifluoride
• Synonyms: Titanium(III) fluoride; 三氟化钛(III)

Database IDs

• CAS Number: 13470-08-1
• EC Number: 236-732-4
• MDL Number: MFCD00042544

CALCULATED PROPERTIES

• Acid pKa: 3.17
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.3684526
• LogD (pH = 7.4): 0.36924794
• Log P: 0.14883864
• Molar Refractivity: 0.8725 cm^3
• Polarizability: 0.45069772 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Density: 3.400

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); X
• UN Number: UN3260
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 20/21/22-34
• Safety Statements: 9-20-26-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06
• GHS Hazard statements: H301-H311-H332-H314-H318
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A