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Merck

249866

Titanium(IV) chloride solution

1.0 M in methylene chloride

Synonym(s):

Titanium tetrachloride

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About This Item

Linear Formula:
TiCl4
CAS Number:
7550-45-0
Molecular Weight:
189.68
NACRES:
NA.55
PubChem Substance ID:
329752763
UNSPSC Code:
12352300
MDL number:
MFCD00011267
Form:
liquid

Key Documents

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InChI

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

SMILES string

Cl[Ti](Cl)(Cl)Cl

InChI key

XJDNKRIXUMDJCW-UHFFFAOYSA-J

vapor pressure

24.09 psi ( 55 °C), 6.93 psi ( 20 °C)

form

liquid

reaction suitability

reagent type: catalyst
core: titanium

concentration

0.95-1.10 M NaOH (titration), 1.0 M in methylene chloride

density

1.365 g/mL at 25 °C

Quality Level

100

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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.

signalword

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Carc. 2 - Eye Dam. 1 - Skin Corr. 1B - STOT SE 3

target_organs

Central nervous system

supp_hazards

EUH014

Storage Class

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

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

75-09-2

CAS No.

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT2278
SHBT2279
SHBS9970
SHBT0293
SHBR6321

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Titanium(IV) chloride and the amine-promoted baylis-hillman reaction
Shi et al.
Organic letters, 2(23), 3755-3755 (2000-11-14)
Precipitation of nanosized titanium dioxide from aqueous titanium (IV) chloride solutions by neutralization with MgO.
Li Y and Demopoulos GP.
Hydrometallurgy, 90(1), 26-33 (2008)
Denton, S.M. Wood, A.
Synlett, 55-55 (1999)
Charles Dylan Turner et al.
Organic letters, 14(18), 4970-4973 (2012-09-08)
The Ti(IV)-catalyzed Ugi condensation of α-amino acids with electron-rich aromatic aldehydes performs adequately even with sterically demanding α-amino carboxylate salts. The reaction occurs diastereoselectively, in some cases with virtually complete diastereoselectivity. A stereochemical rationale for the reaction is proposed.
Soji Shimizu et al.
Chemical communications (Cambridge, England), 49(16), 1621-1623 (2013-01-23)
Pyrrolopyrrole aza-BODIPY analogues were synthesized from diketopyrrolopyrrole and heteroaromatic amines in the presence of titanium tetrachloride. These novel compounds exhibit intense absorption in the visible region and strong emission with high fluorescence quantum yields greater than 0.8.
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