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Merck
CN

8.12382

Titanium(IV) chloride

for synthesis

Synonym(s):

Titanium(IV) chloride, Titanium tetrachloride

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About This Item

Empirical Formula (Hill Notation):
Cl4Ti
CAS Number:
Molecular Weight:
189.68
UNSPSC Code:
12352302
EC Index Number:
231-441-9
NACRES:
NA.22
MDL number:
Grade:
synthesis grade
Form:
liquid
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grade

synthesis grade

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

SMILES string

[Ti+4].[Cl-].[Cl-].[Cl-].[Cl-]

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


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pictograms

Skull and crossbonesCorrosion

Storage Class

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

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

supp_hazards

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

危险化学品

This item has



Certificates of Analysis (COA)

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Transformation of Trifluorotoluenes Triggered by Titanium (IV) Chloride-Catalyzed Hydrodefluorination using Hydrosilanes
Yamada T, et al.
Advanced Synthesis & Catalysis, 358(1), 62-66 (2016)
Transformation of Trifluorotoluenes Triggered by Titanium (IV) Chloride-Catalyzed Hydrodefluorination using Hydrosilanes
Yamada T, et al.
advanced synthesis and catalysis, 358(1), 62-66 (2016)
Titanium (IV) chloride-mediated ortho-acylation of phenols and naphthols
Bensari A and Zaveri NT
Synthesis, 2003(02), 0267-0271 (2003)



Global Trade Item Number

SKUGTIN
812382010004022536404028
812382100004022536404035