254312
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:
Molecular Weight:
189.68
NACRES:
NA.55
PubChem Substance ID:
UNSPSC Code:
12352300
EC Number:
231-441-9
MDL number:
Assay:
≥99.995% trace metals basis
Form:
liquid
Quality Level
vapor pressure
50 mmHg ( 55 °C), 9.6 mmHg ( 20 °C)
assay
≥99.995% trace metals basis
form
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
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.
Titanium(IV) chloride has been used in the synthesis of anatase TiO2 structures with macropores (250nm in diameter) and mesoscale pores (50nm in diameter).
Promotes a highly selective aldol reaction of (S)-2-benzyloxy-3-pentanone in THF or DME.
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 1 Inhalation - Eye Dam. 1 - Skin Corr. 1B - STOT SE 3
target_organs
Respiratory system
supp_hazards
Storage Class
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
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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
Titanium(IV) chloride and the amine-promoted baylis-hillman reaction
Shi et al.
Organic letters, 2(23), 3755-3755 (2000-11-14)