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254312

Sigma-Aldrich

Titanium(IV) chloride

≥99.995% trace metals basis

Synonym(s):

TTC, Titanium tetrachloride

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About This Item

Linear Formula:
TiCl4
CAS Number:
7550-45-0
Molecular Weight:
189.68
EC Number:
231-441-9
MDL number:
MFCD00011267
UNSPSC Code:
12352300
PubChem Substance ID:
329752736
NACRES:
NA.55

vapor pressure

50 mmHg ( 55 °C)
9.6 mmHg ( 20 °C)

Assay

≥99.995% trace metals basis

form

liquid
liquid

reaction suitability

reagent type: catalyst
core: titanium

bp

135-136 °C (lit.)
136.4 °C

mp

−25 °C (lit.)

density

1.73 g/mL at 20 °C (lit.)

SMILES string

Cl[Ti](Cl)(Cl)Cl

InChI

1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4

InChI key

XJDNKRIXUMDJCW-UHFFFAOYSA-J

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General description

Titanium(IV) chloride participates in the Baylis-Hillman reaction of arylaldehydes with methyl vinyl ketone. Neutral solutions of TiCl4 having a pH in the range of 2.5 to 6.0 (prepared by the addition of magnesium oxide as a base) are used to synthesize nanosized titanium dioxide.

Application

Activates pyrrolidines for improved conversion, via a modified Bouveault reaction, to the corresponding α,α-dimethylamines.
Promotes a highly selective aldol reaction of (S)-2-benzyloxy-3-pentanone in THF or DME.
Titanium(IV) chloride has been used in the synthesis of anatase TiO2 structures with macropores (250nm in diameter) and mesoscale pores (50nm in diameter).

Pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

Signal Word

Danger

Hazard Statements

H314,H330,H335

Hazard Classifications

Acute Tox. 1 Inhalation - Eye Dam. 1 - Skin Corr. 1B - STOT SE 3

Target Organs

Respiratory system

Supplementary Hazards

EUH014

Storage Class Code

6.1B - Non-combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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A Review of Mesoporous TiO2 Thin Films
Wang J, et al.
Material Matters, 7(2) null
Victor Rodríguez-Cisterna et al.
The Journal of organic chemistry, 72(17), 6631-6633 (2007-07-20)
Stereoselectivity of TiCl4-mediated aldol reactions from (S)-2-benzyloxy-3-pentanone is dramatically improved when the reaction is carried out in the presence of 1.1 equiv of tetrahydrofuran (THF) or 1,2-dimethoxyethane (DME). The resultant 2,4-syn-4,5-syn adducts are then obtained in diastereomeric ratios up to
Precipitation of nanosized titanium dioxide from aqueous titanium (IV) chloride solutions by neutralization with MgO.
Li Y and Demopoulos GP.
Hydrometallurgy, 90(1), 26-33 (2008)
Titanium(IV) chloride and the amine-promoted baylis-hillman reaction
Shi et al.
Organic letters, 2(23), 3755-3755 (2000-11-14)
Charles Dylan Turner et al.
Organic letters, 14(18), 4970-4973 (2012-09-08)
The Ti(IV)-catalyzed Ugi condensation of α-amino acids with electron-rich aromatic aldehydes performs adequately even with sterically demanding α-amino carboxylate salts. The reaction occurs diastereoselectively, in some cases with virtually complete diastereoselectivity. A stereochemical rationale for the reaction is proposed.
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