tetrafluorotitanium

• ChemBase ID: 129928
• Molecular Formular: F4Ti
• Molecular Mass: 123.8606128
• Monoisotopic Mass: 123.94155918
• SMILES: [Ti](F)(F)(F)F
• Canonical SMILES: F[Ti](F)(F)F
• InChI: InChI=1S/4FH.Ti/h4*1H;/q;;;;+4/p-4
• InChIKey: XROWMBWRMNHXMF-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluorotitanium
• IUPAC Traditional name: titanium tetrafluoride
• Synonyms: titanium tetrafluoride; Titanium tetrafluoride; Titanium fluoride; Titanium(IV) fluoride; 四氟化钛

Database IDs

• CAS Number: 7783-63-3
• EC Number: 232-017-6
• MDL Number: MFCD00042545
• PubChem SID: 24860116; 162224214
• PubChem CID: 121824
• Chemspider ID: 7988529
• Wikipedia Title: Titanium_tetrafluoride

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

• Apperance: powder and chunks; white powder; hygroscopic
• Melting Point: 377 °C
• Boiling Point: sublimes
• Density: 2.798 g/cm^3; 2.798 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 20/21/22-34
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• NFPA704:
  

  0

  3

  0
• GHS Hazard statements: H302 + H312 + H332-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3260 8/PG 2

Product Information

• Linear Formula: TiF4

DETAILS

Sigma Aldrich - 333239

Application
Used for preparation of glycosyl fluorides2; glycosylation3; preparation of fluorohydrins4; addition of carbanions to aldehydes and imines.5
Catalyst for:
• Chemoselective synthesis and deprotection of geminal diacetates of aldehydes1
Packaging
10, 100 g in poly bottle