8.12382

Titanium(IV) chloride

for synthesis

• Synonym(s): Titanium(IV) chloride, Titanium tetrachloride
• 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
• grade: for synthesis; synthesis grade
• form: liquid

Properties

• grade: for synthesis; synthesis grade
• Quality Level: 200
• 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

Description

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

Safety Information

• pictograms: GHS05,GHS06
• signalword: Danger
• hcodes: H314 - H330 - H335
• pcodes: P260 - P271 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• 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