TITANIUM (IV) IODIDE

The Titanium tetraiodide, with the CAS registry number 7720-83-4, is also known as Titanium (IV) iodide. It is a rare molecular binary metal iodide, consisting of isolated molecules of tetrahedral Ti(IV) centers. Its EINECS registry number is 231-754-0. This chemical's molecular formula is I₄Ti and molecular weight is 555.48. What's more, its IUPAC name is Tetraiodotitanium. In addition, it must be stored in airtight containers under the protection of dry gas and placed in a dry, cool place. Meanwhile, it should avoid contact with moisture.

Physical properties about Titanium tetraiodide are: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 0; (3)Rotatable Bond Count: 0; (4)Exact Mass: 555.565819; (5)MonoIsotopic Mass: 555.565819; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 5; (8)Formal Charge: 0; (9)Complexity: 19.1; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 1.

Preparation of Titanium tetraiodide:
1) From the elements, typically using a tube furnace at 425 °C. On the other hand, this reaction can be reversed to produce highly pure films of Ti metal.

Ti + 2 I₂ → TiI₄

2) Exchange reaction from titanium tetrachloride and HI.

TiCl₄ + 4 HI → TiI₄ + 4 HCl

3) Oxide-iodide exchange from Aluminium iodide.

3 TiO₂ + 4 AlI₃ → 3 TiI₄ + 2 Al₂O₃

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to respiratory system. In addition, this chemical may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) Canonical SMILES: [Ti](I)(I)(I)I
(2) InChI: InChI=1S/4HI.Ti/h4*1H;/q;;;;+4/p-4
(3) InChIKey: NLLZTRMHNHVXJJ-UHFFFAOYSA-J