tetraiodotitanium

• ChemBase ID: 129929
• Molecular Formular: I4Ti
• Molecular Mass: 555.48488
• Monoisotopic Mass: 555.5658383
• SMILES: [Ti](I)(I)(I)I
• Canonical SMILES: I[Ti](I)(I)I
• InChI: InChI=1S/4HI.Ti/h4*1H;/q;;;;+4/p-4
• InChIKey: NLLZTRMHNHVXJJ-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraiodotitanium
• IUPAC Traditional name: titanium tetraiodide
• Synonyms: Titanium(IV) iodide; Titanium tetraiodide; Titanium tetraiodide; 四碘化钛; 碘化钛(IV)

Database IDs

• CAS Number: 7720-83-4
• EC Number: 231-754-0
• MDL Number: MFCD00043077
• PubChem SID: 24869463; 162224215
• PubChem CID: 111328
• Wikipedia Title: Titanium_tetraiodide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7344
• LogD (pH = 7.4): 3.7344
• Log P: 3.7344
• Molar Refractivity: 53.3632 cm^3
• Polarizability: 26.305958 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: hydrolysis in water; soluble in CH₂Cl₂; CHCl₃; CS₂
• Apperance: powder; red-brown crystals
• Melting Point: 150 °C; 150 °C(lit.)
• Boiling Point: 377 °C
• Density: 4.3 g/cm^3; 4.3 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: 1
• Risk Statements: 34-37
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• Main Hazard: violent hydrolysis; corrosive
• 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 1

Product Information

• Purity: 99.99% trace metals basis
• Grade: anhydrous
• Linear Formula: TiI4

DETAILS

Sigma Aldrich - 458449

Features and Benefits
Used in the CVD of titanium nitride films with optimized characteristics.1
Packaging
2 g in ampule