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8.12382

Sigma-Aldrich

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:
7550-45-0
Molecular Weight:
189.68
MDL number:
MFCD00011267
UNSPSC Code:
12352302
EC Index Number:
231-441-9
NACRES:
NA.22
form:
liquid
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vapor pressure

12 hPa ( 20 °C)

Quality Level

200

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.[1]
  • To synthesize various chlorinated compounds via Baylis−Hillman reaction reactions of aryl aldehydes with methyl vinyl ketone in the presence of Lewis base.[2]
  • To prepare 3,4-dihydropyrimidin-2(1H)-ones and thiones by Biginelli condensation reaction of aldehyde, 1,3-dicarbonyl compound, and urea or thiourea.[3]
  • In the hydrodefluorination reaction in the presence of triethylsilane as the reducing agent.[4]

Analysis Note

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

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

Storage Class

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

wgk_germany

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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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)
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)
Titanium(IV) chloride and the amine-promoted baylis-hillman reaction
M Shi, et al.
Organic Letters, 2(16), 2397-2400 (2000)

Questions

  1. How is it packed? A bottle with septum?

    1 answer

    1. This product is provided in a glass bottle with a Teflon cap. It does not include a septum.

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