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Titanium tetrachloride

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Name

Titanium tetrachloride

EINECS 231-441-9
CAS No. 7550-45-0 Density 1.73 g/mL at 20 °C(lit.)
PSA 0.00000 LogP 2.75800
Solubility soluble in water Melting Point -25 °C
Formula TiCl4 Boiling Point 135-136 °C(lit.)
Molecular Weight 189.68 Flash Point 46 °F
Transport Information UN 3289 6.1/PG 2 Appearance colourless liquid with a penetrating odour
Safety 26-7/8-62-46-45-36/37/39-24/25-23 Risk Codes 36/37/38-67-65-63-48/20-34-14-11-23-40-37
Molecular Structure Molecular Structure of 7550-45-0 (Titanium chloride(TiCl4) (T-4)-) Hazard Symbols FlammableF, IrritantXi, CorrosiveC
Synonyms

Titaniumchloride (TiCl4) (8CI);Tetrachlorotitanium;Titanium chloride;Titanium(IV) chloride;Titanio (tetracloruro di);Titane (tetrachlorure de);Titanium chloride (TiCl4);Titanium tetrachloride;

 

Titanium tetrachloride Synthetic route

titanium(IV) oxide

7550-45-0

titanium tetrachloride

Conditions
ConditionsYield
TiO2 contained with 2%MnO2; chlorination at 600°C;96.08%
TiO2 contained with 2%MnO2; chlorination at 700°C;96.68%
TiO2 contained with 2%MnO2; chlorination at 600°C;96.08%
titanomagnetite FeTiO3#Fe3O4

titanomagnetite FeTiO3#Fe3O4

7550-45-0

titanium tetrachloride

Conditions
ConditionsYield
chlorination at 740°C;95.58%
chlorination at 640°C;79.52%
chlorination at 520°C;68.51%

titanite

7550-45-0

titanium tetrachloride

Conditions
ConditionsYield
chlorination at 850°C;28%
chlorination at 740°C;25.1%
chlorination at 640°C;13.1%
67-66-3

chloroform

titanium oxide

titanium oxide

A

7647-01-0

hydrogenchloride

B

118-74-1

hexachlorobenzene

C

7550-45-0

titanium tetrachloride

D

CO

CO

iron(III) oxide

7782-50-5

chlorine

7440-44-0

pyrographite

titanium(IV) oxide

A

Fe2Cl6

B

7550-45-0

titanium tetrachloride

Conditions
ConditionsYield
In neat (no solvent) byproducts: CO; TiO2/C mixt. (various ratio) heating in thermogravimetric analyzer at 2.7 K/min in Ar flow, Cl2 (p(Cl2)=33 kPa) introducing at 598 K, further heating up to 1000 K; TG;
10025-67-9

disulfur dichloride

titanium(IV) oxide

7782-50-5

chlorine

7550-45-0

titanium tetrachloride

Conditions
ConditionsYield
In neat (no solvent) chlorination (molar ratio SCl4:TiO2 = 2:1);

titanium carbide

7550-45-0

titanium tetrachloride

Conditions
ConditionsYield
chlorination; distilling, shaking with Na-amalgame for 48h in dry H2;
chlorination; distilling, shaking with Na-amalgame for 48h in dry H2;

titanium carbide

7782-50-5

chlorine

A

7550-45-0

titanium tetrachloride

B

7440-44-0

pyrographite

Conditions
ConditionsYield
In neat (no solvent) chlorination (fused silica reactor, 773, 973, 1173, and 1373 K, Cl2 velocity 1 cm/s); removal of Cl2 and TiCl4 on heat treatment (synthesis temp., vac., 1 h);A n/a
B >99
7647-01-0

hydrogenchloride

titanium nitride

7550-45-0

titanium tetrachloride

Conditions
ConditionsYield
In neat (no solvent) byproducts: H2, N2, TiCl3; transport reaction; small reaction rate at 1000°C, high reaction rate at 1500°C;;
byproducts: NH3; dry HCl is used;;
byproducts: NH3; dry HCl is used;;
In neat (no solvent) byproducts: H2, N2, TiCl3; transport reaction; small reaction rate at 1000°C, high reaction rate at 1500°C;;
10026-13-8, 874483-75-7

phosphorus pentachloride

ilmenite

7550-45-0

titanium tetrachloride

Conditions
ConditionsYield
In neat (no solvent) byproducts: POCl3, FeCl2; passing vapor of PCl5 over hot ilmenite;;
7440-32-6

titanium

7550-45-0

titanium tetrachloride

Conditions
ConditionsYield
With chlorine glowing;
With chlorine 325 ° C;
With chlorine finely dispersed Ti at 30 °C with clean, dry Cl2 gas or Cl2 gas contg. less than 0.005% water;
7647-01-0

hydrogenchloride

7440-32-6

titanium

7550-45-0

titanium tetrachloride

Conditions
ConditionsYield
In neat (no solvent) a stream of water-free HCl is used;;

titanium(IV) oxide

calcium chloride

7550-45-0

titanium tetrachloride

Conditions
ConditionsYield
In melt berillium oxide crucible with TiO2 and CaCl2 heated at 840°C for 2.5 h; TiCl4 vapor condencat not observed;0%
75-44-5

phosgene

titanium(IV) oxide

A

titanium oxychloride

B

7550-45-0

titanium tetrachloride

Conditions
ConditionsYield
In neat (no solvent) passing stream of COCl2 over TiO2 at 450 °C;;
10294-34-5

boron trichloride

titanium(IV) oxide

A

boron trioxide

B

7550-45-0

titanium tetrachloride

Conditions
ConditionsYield
higher temp. in Pt pot;
higher temp. in Pt pot;
67-66-3

chloroform

titanium(IV) oxide

7550-45-0

titanium tetrachloride

Conditions
ConditionsYield
byproducts: CO, HCl;
byproducts: CO, HCl;
7720-83-4

titanium(IV) iodide

7719-12-2, 52843-90-0

phosphorus trichloride

A

13455-01-1

phosphorous triiodide

B

7550-45-0

titanium tetrachloride

Conditions
ConditionsYield
In not given react. with TiI4;;
In not given react. with TiI4;;

rutile

7550-45-0

titanium tetrachloride

Conditions
ConditionsYield
byproducts: FeCl3; red heat, chlorination;
With tetrachloromethane red heat, in tube;
With COCl2 600 °C;
757244-92-1

2-(3-tert-butyl-2-hydroxy-5-methylbenzylthio)-6-tert-butyl-4-methylphenol

7550-45-0

titanium tetrachloride

dichloro{1-monothiaethanediyl-2,2'-bis(6-tert-butyl-4-methylphenolate)}titanium

Conditions
ConditionsYield
In dichloromethane at 0 - 20℃; for 0.5h;100%
7550-45-0

titanium tetrachloride

titanium(IV) oxide

Conditions
ConditionsYield
TiCl4 was added to deionized H2O, mixt. was stirred for 16 h at room temp., mixt was dialyzed in deionized H2O to pH 2.0;100%
In hydrogenchloride other Radiation; soln. of TiCl4 in cold 2 M HCl, hydrolysed, TiOCl2 formed, soln. transferred to Teflon container, treated in microwave oven (2.45 GHz) at temp. of 120°C for 120 min, or at 140°C for 60 or 120 min, or at160°C for 5 or 30 min; washed (deionized H2O, ethanol, repeatedly), dried in oven at 60°C for 16 h, detd. by XRD, mixt. of rutile and anatase obtained;99%
In hydrogenchloride other Radiation; soln. of TiCl4 in cold 2 M HCl, hydrolysed, TiOCl2 formed, soln. transferred to Teflon container, treated in microwave oven (2.45 GHz) at temp. of 160°C for 60 min; washed (deionized H2O, ethanol, repeatedly), dried in oven at 60°C for 16 h, detd. by XRD, mixt. of rutile and anatase obtained;98%
5057-99-8

trans-cyclopentane-1,2-diol

7550-45-0

titanium tetrachloride

C5H8(OTiCl3)2

Conditions
ConditionsYield
In dichloromethane (Ar), at 0°C, dropwise addn. of TiCl4 with stirring, stirred for 15 min, brought to 25°C, stirred for 45 min; evapd. in vacuo, elem. anal.;100%
110-18-9

N,N,N,N,-tetramethylethylenediamine

7550-45-0

titanium tetrachloride

19033-22-8

tetrachloro(N,N,N',N'-tetramethylethane-1,2-diamine)titanium(IV)

Conditions
ConditionsYield
In hexane at 0℃; for 1h; Inert atmosphere;100%
In benzene solns. mixed at 10-20°C; filtered, washed (benzene), dried (vac.); elem. anal.;>99
In pentane solns. mixed at 10-20°C; filtered, washed (pentane), dried (vac.); elem. anal.;>99
90-15-3

α-naphthol

7550-45-0

titanium tetrachloride

104043-19-8

[dichlorobis(1-naphtholate)titanium(IV)]

Conditions
ConditionsYield
In toluene byproducts: HCl; N2, vigorously refluxed for 12 h; cooled, filtered, solvent removed;100%
2373-00-4

1,3,5,7-tetrathiocane

7550-45-0

titanium tetrachloride

TiCl4*2(CH2S)4

Conditions
ConditionsYield
In benzene under moisture-free conditions; freshly distd. TiCl4 added to a soln. of thioaldehyde; mixt. stirred (2 h, room temp.); filtered; washed (pentane); dried (high vac., room temp.); elem. anal.;100%
5961-35-3

2-{[(1-methylethyl)imino]methyl}phenol

7550-45-0

titanium tetrachloride

69046-27-1, 86322-28-3

bis(κN,κO-N-isopropylsalicylaldiminato)TiCl2

Conditions
ConditionsYield
With 1,1,1,3,3,3-hexamethyldisilazane In dichloromethane; toluene (under Ar, Schlenk); hexamethyldisilazane added to soln. of ligand in CH2Cl2, stirred overnight, evapd. under vac. at 50°C, ligand in toluene added to toluene soln. of TiCl4 at -78°C, warmed to ambient temp., stirred overnight; heated at 50°C under vac.; elem. anal.;100%
2372-99-8

1,3,5,7,9-pentathiacyclodecane

7550-45-0

titanium tetrachloride

103602-01-3

TiCl4*(CH2S)5

Conditions
ConditionsYield
In benzene under moisture-free conditions; equimolar quantity of freshly distd. TiCl4 added to a soln. of thioaldehyde; mixt. stirred (2 h, room temp.); filtered; washed (pentane); dried (high vac., room temp.); elem. anal.;100%

6,6'-((1E,1'E)-(cyclohexane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2-(tert-butyl)-4-nitrophenol)

7550-45-0

titanium tetrachloride

Ti(C28H34N4O6)Cl2

Conditions
ConditionsYield
In dichloromethane Ar-atmosphere; stirring of equiv. amts. of ligand and TiCl4 for 2 h at room temp.; concn. (vac.), washing (ether, ether/petroleum ether=1/1), recrystn. (CHCl3); elem. anal.;100%
54547-03-4

N-(1-adamantyl)-salicylaldamine

7550-45-0

titanium tetrachloride

945831-77-6

bis(κN,κO-N-adamantylsalicylaldiminato)TiCl2

Conditions
ConditionsYield
With 1,1,1,3,3,3-hexamethyldisilazane In dichloromethane; toluene (under Ar, Schlenk); hexamethyldisilazane added to soln. of ligand in CH2Cl2, stirred overnight, evapd. under vac. at 50°C, ligand in toluene added to toluene soln. of TiCl4 at -78°C, warmed to ambient temp., stirred overnight; heated at 50°C under vac.; elem. anal.;100%
945831-89-0

adamantyl-N-(3-tert-butylsalicylaldimine)

7550-45-0

titanium tetrachloride

945831-79-8

bis(κN,κO-N-adamantyl-3-tert-butylsalicylaldiminato)TiCl2

Conditions
ConditionsYield
In toluene (under Ar, Schlenk); ligand in toluene added to toluene soln. of TiCl4 at -78°C, warmed to ambient temp., stirred overnight; elem. anal.;100%

C6H10(NCHC6H2(C(CH3)3)(NO2)OH)2

7550-45-0

titanium tetrachloride

(C6H10(NCHC6H2(NO2)(C(CH3)3)O)2)TiCl2

Conditions
ConditionsYield
In dichloromethane ligand dissolved in CH2Cl2; soln. of TiCl4 in CH2Cl2 added; stirred for 1 h; solvent evapd. in vac.; taken up in Et2O; stirred for 5 min; ether layerdecanted; hexane-Et2O added to residue; stirred briefly; decanted; drie d in vac.;100%
1291070-42-2

HOC6H2Br2CH2N(CH3)C2H4NCHC6H2(OH)(C(CH3)3)2

7550-45-0

titanium tetrachloride

1352912-54-9

C25H32Br2Cl2N2O2Ti

Conditions
ConditionsYield
In toluene for 0.25h;100%
1403990-41-9

C12H28N2O2

7550-45-0

titanium tetrachloride

Conditions
ConditionsYield
With titanium(IV) isopropylate In toluene at -30℃;100%
1443157-01-4

C12H17NO2

7550-45-0

titanium tetrachloride

1443157-02-5

C24H34Cl4N2O4Ti

Conditions
ConditionsYield
In toluene Schlenk technique; Inert atmosphere; Glovebox;100%
109-99-9

tetrahydrofuran

C34H36N2O2

7550-45-0

titanium tetrachloride

(x)C4H8O*C34H34N2O2(2-)*2Cl(1-)*Ti(4+)

Conditions
ConditionsYield
Stage #1: tetrahydrofuran; C34H36N2O2 With n-butyllithium In hexane at -78 - 20℃; for 2.16667h;
Stage #2: titanium tetrachloride In hexane at -78 - 20℃; for 18.3333h;
100%
724794-67-6

1-(2,6-diisopropylphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-imidazolyl chloride

7550-45-0

titanium tetrachloride

bis(1-(2,6-diisopropylphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-imidazolyl)titanium(IV) dichloride

Conditions
ConditionsYield
Stage #1: 1-(2,6-diisopropylphenyl)-3-(2-hydroxyphenyl)-4,5-dihydroimidazolium chloride With potassium hexamethylsilazane In tetrahydrofuran at 20℃; for 0.166667h;
Stage #2: titanium tetrachloride In tetrahydrofuran; toluene at 20℃; for 2h;
100%
108-75-8

2,4,6-trimethyl-pyridine

7550-45-0

titanium tetrachloride

TiCl4(2,4,6-collidine)

Conditions
ConditionsYield
In hexane at 0℃; for 1h; Inert atmosphere;100%

C51H47NO2

7550-45-0

titanium tetrachloride

C51H45Cl2NO2Ti

Conditions
ConditionsYield
In toluene at -78 - 20℃; for 21h; Schlenk technique; Inert atmosphere;100%

C59H73NO3

7550-45-0

titanium tetrachloride

C59H70ClNO3Ti

Conditions
ConditionsYield
In toluene at -78 - 100℃; for 13h;99.4%
110-63-4

Butane-1,4-diol

7550-45-0

titanium tetrachloride

C8H16O4Ti

Conditions
ConditionsYield
With calcium hydroxide for 2h; Autoclave; Cooling with ice; Inert atmosphere; Green chemistry;99.3%

Titanium tetrachloride Consensus Reports

EPA Extremely Hazardous Substances List. Community Right-To-Know List. Reported in EPA TSCA Inventory.

Titanium tetrachloride Standards and Recommendations

DOT Classification:  8; Label: Corrosive, Poison

Titanium tetrachloride 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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