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Titanium dioxide

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Name Titanium dioxide EINECS 236-675-5
CAS No. 13463-67-7 Density 4.23 g/cm3
Solubility insoluble in water Melting Point 1843 °C
Formula TiO2 Boiling Point 2972 °C
Molecular Weight 79.90 Flash Point
Transport Information Appearance White solid
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 13463-67-7 (Titanium dioxide) Hazard Symbols HarmfulXn
Synonyms

Titanium(IV) oxide;Titania;Rutile;Anatase;Brookite;1385RN 59;1700 White;A 200 (pigment);A 330 (pigment);Bayertitan R-FD 1;Bayertitan R-FK 21;C.I. Pigment White 6;

 

Specification

The IUPAC name of Titanium dioxide is called Titanium(IV) oxide with the chemical formula TiO2. It has the CAS registry number of 13463-67-7 and EINECS registry number of 236-675-5. This chemical is a white solid that insoluble in water and organic solvent, and slowly soluble in hydrofluoric acid and hot sulfuric acid. Titanium dioxide occurs in nature as minerals rutile, anatase and brookite, and additionally as two high pressure forms, a monoclinic baddeleyite-like form and an orthorhombic α-PbO2-like form.

Preparation: The crude ore (containing at least 70% TiO2) is reduced with carbon, oxidized with chlorine to give titanium tetrachloride, which is distilled, and re-oxidized in a pure oxygen flame or plasma at 1500–2000 K to give pure titanium dioxide.

2 TiO2 + 3 C + 4 Cl2 → TiCl4 + CO2↑ + CO↑
TiCl4 + O2 → TiO2 + 2 Cl2

Additionally, ilmenite is digested in sulfuric acid. The by-product iron(II) sulfate is crystallized and filtered-off to yield only the titanium salt in the digestion solution, which is processed further to give pure titanium dioxide.

TiO2 + H2SO4 → TiOSO4 + H2O
TiOSO4 → H2TiO3
H2TiO3 → TiO2 + H2O

Besides, via rectification and purification, titanium tetrachloride is added into 10 times the amount of distilled water, and then add purified aqueous ammonia into the mixture make the PH value to 7. The filtrate is partitioned after stewing the precipitate. The crystal is eluted several times, dried at the temperature of 100 °C, and fired at 900 °C.

TiCl4 + 4 NH4OH → Ti(OH)4↓+ 4 NH4Cl
Ti(OH)4 → TiO2 + 2 H2O

Uses: In cosmetic and skin care products, Titanium dioxide is used as a pigment, sunscreen and a thickener. It is also used as a tattoo pigment and in styptic pencils. Because of its brightness and very high refractive index (n = 2.7), Titanium dioxide is the most widely used white pigment. In ceramic glazes titanium dioxide acts as an opacifier and seeds crystal formation. Synthetic single crystals and films of Titanium dioxide are used as a semiconductor, and also in Bragg-stack style dielectric mirrors due to the high refractive index of TiO2 (2.5 – 2.9).

Titanium dioxide is often used to whiten skimmed milk which has been shown statistically to increase skimmed milk's palatability. Titanium dioxide is used to mark the white lines on the tennis courts of the All England Lawn Tennis and Croquet Club, best known as the venue for the annual grand slam tennis tournament The Championships, Wimbledon.

Titanium dioxide can be used to cleave protein that contains the amino acid proline at the site where proline is present. Titanium dioxide is also used as a material in the memristor, a new electronic circuit element. It can be employed for solar energy conversion based on dye, polymer, or quantum dot sensitized nanocrystalline TiO2 solar cells using conjugated polymers as solid electrolytes.

When you are using Titanium dioxide, you should be very cautious about it. This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=[Ti]=O
(2)InChI: InChI=1S/2O.Ti
(3)InChIKey: GWEVSGVZZGPLCZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD intratracheal > 100ug/kg (0.1mg/kg) LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI

BLOOD: "CHANGES IN SERUM COMPOSITION (E.G., TP, BILIRUBIN, CHOLESTEROL)"
Industrial Health. Vol. 35, Pg. 61, 1997.

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