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8.12382

Sigma-Aldrich

Titanium(IV) chloride

for synthesis

Synonym(s):
Titanium(IV) chloride, Titanium tetrachloride
Empirical Formula (Hill Notation):
Cl4Ti
CAS Number:
Molecular Weight:
189.68
MDL number:
EC Index Number:
231-441-9

Quality Level

vapor pressure

12 hPa ( 20 °C)

form

liquid

potency

3160 mg/kg LD50, skin (Rabbit)

bp

136 °C/1013 hPa

mp

-24 °C

density

1.728 g/cm3 at 20 °C

storage temp.

2-30°C

InChI

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

InChI key

XJDNKRIXUMDJCW-UHFFFAOYSA-J

Application

Titanium(IV) chloride can be used as a Lewis acid catalyst:
  • In the ortho acylation of aryl alcohols to synthesize corresponding ortho C-acylated products.
  • To synthesize various chlorinated compounds via Baylis−Hillman reaction reactions of aryl aldehydes with methyl vinyl ketone in the presence of Lewis base.
  • To prepare 3,4-dihydropyrimidin-2(1H)-ones and thiones by Biginelli condensation reaction of aldehyde, 1,3-dicarbonyl compound, and urea or thiourea.
  • In the hydrodefluorination reaction in the presence of triethylsilane as the reducing agent.

Analysis Note

Assay (argentometric): ≥ 97.0 %
Identity (ICP-OES): passes test

Pictograms

CorrosionSkull and crossbones

Signal Word

Danger

Hazard Statements

Hazard Classifications

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

Target Organs

Respiratory system

Supplementary Hazards

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

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