tetrafluorotitanium dihydrofluoride

• ChemBase ID: 145338
• Molecular Formular: F6H2Ti
• Molecular Mass: 163.8732992
• Monoisotopic Mass: 163.95401568
• SMILES: F.F.F[Ti](F)(F)F
• Canonical SMILES: F[Ti](F)(F)F.F.F
• InChI: InChI=1S/6FH.Ti/h6*1H;/q;;;;;;+4/p-4
• InChIKey: PFSXARRIPPWGNC-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluorotitanium dihydrofluoride
• IUPAC Traditional name: titanium tetrafluoride dihydrofluoride
• Synonyms: Hexafluorotitanic acid solution; 六氟钛酸 溶液

Database IDs

• CAS Number: 17439-11-1
• MDL Number: MFCD00049647
• PubChem SID: 24871780; 162239544
• PubChem CID: 53393199

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.37
• LogD (pH = 7.4): 1.37
• Log P: 1.37
• Molar Refractivity: 6.0052 cm^3
• Polarizability: 4.645652 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.675 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Highly toxic (T+)
• UN Number: 3264
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 26/27/28-35
• Safety Statements: 26-28-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300 +H310 + H330-H314
• GHS Precautionary statements: P260-P264-P280-P284-P301 + P310-P302 + P350
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3264 8/PG 2

Product Information

• Purity: 99.9% trace metals basis
• Concentration: 60 wt. % in H2O
• Linear Formula: H2TiF6

DETAILS

Sigma Aldrich - 481777

Packaging
2.5 kg in poly bottle
500 g in poly bottle