trifluorotitanium

• ChemBase ID: 129932
• Molecular Formular: F3Ti
• Molecular Mass: 104.8622096
• Monoisotopic Mass: 104.94315596
• SMILES: F[Ti](F)F
• Canonical SMILES: F[Ti](F)F
• InChI: InChI=1S/3FH.Ti/h3*1H;/q;;;+3/p-3
• InChIKey: NLPMQGKZYAYAFE-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluorotitanium
• IUPAC Traditional name: titanium(III) fluoride
• Synonyms: Titanium(III) fluoride; Titanium trifluoride; Titanous fluoride; Titanium(III) fluoride; 三氟化钛; 氟化钛(III)

Database IDs

• CAS Number: 13470-08-1
• EC Number: 236-732-4
• MDL Number: MFCD00042544
• PubChem SID: 24864842; 162224218
• PubChem CID: 83506
• Chemspider ID: 75341
• Wikipedia Title: Titanium(III)_fluoride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0275
• LogD (pH = 7.4): 1.0275
• Log P: 1.0275
• Molar Refractivity: 4.5039 cm^3
• Polarizability: 4.1720133 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: sparingly soluble in water
• Apperance: powder; violet to purple-red powder
• Melting Point: 1200°C
• Boiling Point: 1400°C
• Density: 3.4 g/cm^3; 3.4 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: 14-32-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: 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
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas., Reacts violently with water.

Product Information

• Linear Formula: TiF3

DETAILS

Sigma Aldrich - 399817

Packaging
5 g in poly bottle