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7550-45-0

Basic Information
CAS No.: 7550-45-0
Name: Titanium chloride(TiCl4) (T-4)-
Molecular Structure:
Molecular Structure of 7550-45-0 (Titanium chloride(TiCl4) (T-4)-)
Formula: TiCl4
Molecular Weight: 189.68
Synonyms: Titaniumchloride (TiCl4) (8CI);Tetrachlorotitanium;Titanium chloride;Titanium(IV) chloride;Titanio (tetracloruro di);Titane (tetrachlorure de);Titanium chloride (TiCl4);Titanium tetrachloride;
EINECS: 231-441-9
Density: 1.73 g/mL at 20 °C(lit.)
Melting Point: -25 °C
Boiling Point: 135-136 °C(lit.)
Flash Point: 46 °F
Solubility: soluble in water
Appearance: colourless liquid with a penetrating odour
Hazard Symbols: FlammableF, IrritantXi, CorrosiveC
Risk Codes: 36/37/38-67-65-63-48/20-34-14-11-23-40-37
Safety: 26-7/8-62-46-45-36/37/39-24/25-23
Transport Information: UN 3289 6.1/PG 2
PSA: 0.00000
LogP: 2.75800
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EPA Extremely Hazardous Substances List. Community Right-To-Know List. Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification:  8; Label: Corrosive, Poison

Specification

The systematic name of Titanium tetrachloride is tetrachlorotitanium. With the CAS registry number 7550-45-0, it is also named as Titanium chloride. The product's categories are Inorganic Chemicals; TiCl4; Inorganics; Classes of Metal Compounds; Ti (Titanium) Compounds; Transition Metal Compounds, and the other registry numbers are 15612-71-2; 44246-22-2. Besides, it is colourless liquid with a penetrating odour, which should be stored in ventilated, dry warehouse away from fire and heat source. This chemical is stable, but reacts with water. In addition, it is moisture sensitive, and incompatible with moisture, ammonia, amines, alcohols, potassium and other chemically active metals.

The other characteristics of Titanium tetrachloride can be summarized as:
 (1)EINECS: 231-441-9; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 0; (4)Rotatable Bond Count: 0; (5)Exact Mass: 189.820408; (6)MonoIsotopic Mass: 187.823358; (7)Topological Polar Surface Area: 0; (8)Heavy Atom Count: 5; (9)Complexity: 19.1; (10)Density: 1.726 g/cm3; (11)Melting point: -24.8 °C; (12)Boiling point: 136.4 °C; (13)Flash point: 8 °C; (14)Viscosity: 8.27×10-4 Pa.s; (15)Vapor pressure: 50 mm Hg ( 55 °C).

Preparation of Titanium tetrachloride:
Titanium tetrachloride can be prepared by the chloride process, which involves the reduction of titanium oxide ores, typically ilmenite (FeTiO3) with carbon under flowing chlorine at 900 °C. Impurities are removed by distillation. The reaction equation is as follows:
2 FeTiO3 + 7 Cl2 + 6 C → 2 TiCl4 + 2 FeCl3 + 6 CO

Uses of Titanium tetrachloride:
It can be used for the production of Titanium metal such as Magnesium chloride. This procedure is the final step of the Kroll process:
2 Mg + TiCl4 → 2 MgCl2 + Ti
Titanium tetrachloride is also used for the production of Ttitanium dioxide. The conversion involves hydrolysis of TiCl4, a process that forms hydrogen chloride:
TiCl4 + 2 H2O → TiO2 + 4 HCl
Furthermore, it can be used to produce Titanium sponge and Ferrocyanide. It also used as organic solvent and catalysts in the synthesis of the chemical industry. Additionally, it can be used as thickening agent, cross-linking agent, smoke agent, mordant, iridescent agent.

Safety information of Titanium tetrachloride:
When you are using Titanium tetrachloridethis , please be cautious about it as the following: it is highly flammable that may cause burns. And it reacts violently with water, so please keep container dry. Moreover, its vapours may cause drowsiness and dizziness, so please do not breathe vapour. It is also toxic and harmful by inhalation. Please keep container tightly closed. This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection to avoid contact with skin and eyes. And in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. What's more, it is danger of serious damage to health by prolonged exposure, and harmful that may cause lung damage if swallowed. It is possible risk of harm to the unborn child. Limited evidence of a carcinogenic effect. If swallowed, do not induce vomitting, and please seek medical advice immediately and show this container or label. Additionally, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES:Cl[Ti](Cl)(Cl)Cl;
(2)Std. InChI:InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4;
(3)Std. InChIKey:XJDNKRIXUMDJCW-UHFFFAOYSA-J.

The toxicity data of Titanium tetrachloride is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 100mg/m3/2H (100mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 111, 1982.
rat LC50 inhalation 400mg/m3 (400mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 111, 1982.

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