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Merck
CN

8.12382

Titanium(IV) chloride

for synthesis

别名:

Titanium(IV) chloride, Titanium tetrachloride

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经验公式（希尔记法）:
Cl4Ti
化学文摘社编号:
7550-45-0
分子量:
189.68
UNSPSC Code:
12352302
EC Index Number:
231-441-9
NACRES:
NA.22
MDL number:
MFCD00011267
Grade:
synthesis grade
Form:
liquid

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产品名称

Titanium(IV) chloride, for synthesis

SMILES string

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

InChI

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

InChI key

XJDNKRIXUMDJCW-UHFFFAOYSA-J

grade

synthesis grade

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

Quality Level

200

Analysis Note

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

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.

pictograms

CorrosionSkull and crossbones
GHS05,GHS06

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

supp_hazards

EUH014

存储类别

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

法规信息

危险化学品
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Titanium(IV) chloride and the amine-promoted baylis-hillman reaction
M Shi, et al.
Organic Letters, 2(16), 2397-2400 (2000)
Titanium (IV) chloride catalyzed one-pot synthesis of 3, 4-dihydropyrimidin-2 (1H)-ones and thiones
Nagawade RR, et al.
Mendeleev Communications, 15(4), 150-151 (2005)
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)
Transformation of Trifluorotoluenes Triggered by Titanium (IV) Chloride-Catalyzed Hydrodefluorination using Hydrosilanes
Yamada T, et al.
Advanced Synthesis & 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)

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