357405

Zirconium(IV) chloride

≥99.9% trace metals basis

• Synonym(s): Tetrachlorozirconium, Zirconium tetrachloride
• Linear Formula: ZrCl₄
• CAS Number: 10026-11-6
• Molecular Weight: 233.04
• EC Number: 233-058-2
• MDL number: MFCD00011306
• PubChem Substance ID: 24861912
• NACRES: NA.23

Properties

• vapor pressure: 1 mmHg ( 190 °C)
• Quality Level: 100
• Assay: ≥99.9% trace metals basis
• form: powder
• reaction suitability: reagent type: catalyst; core: zirconium
• impurities: ≤1000.0 ppm Trace Metal Analysis
• transition temp: sublimation point 331 °C
• density: 2.8 g/mL at 25 °C (lit.)
• application(s): battery manufacturing
• SMILES string: Cl[Zr](Cl)(Cl)Cl
• InChI: 1S/4ClH.Zr/h4*1H;/q;;;;+4/p-4
• InChI key: DUNKXUFBGCUVQW-UHFFFAOYSA-J

Description

Application

Zirconium (IV) chloride acts as an efficient Lewis acid catalyst for various reactions; such as:

• electrophilic addition reaction of indole with aldehydes/ketones to form bis(indolyl)methanes. electrophilic amination of activated arenes,
• transthioacetylization of acetals,
• deoxygenation of heterocyclic-N-oxides,
• reduction of nitro compounds,
• conversion of carbonyl compounds to 1,3-oxathiolanes,
• Biginelli reaction for the synthesis of 3,4-dihydropyrimidin-2(1H)-ones,
• direct amide coupling of non activated carboxylic acids and amines,
• synthesis of quinoxalines and pyrido[2,3-b]pyrazines,
• deprotection of t-butyldimethylsilyl (TBDMS) ethers.

Activates pyrrolidines for improved conversion, via a modified Bouveault reaction, to the corresponding α,α-dimethylamines.

Safety Information

• Pictograms: GHS05
• Signal Word: Danger
• Hazard Statements: H290 - H314
• Precautionary Statements: P234 - P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Met. Corr. 1 - Skin Corr. 1B
• Supplementary Hazards: EUH014 - EUH071
• Storage Class Code: 8B - Non-combustible, corrosive hazardous materials
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves