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Merck
CN

357405

Zirconium(IV) chloride

greener alternative

≥99.9% trace metals basis

Synonym(s):

Tetrachlorozirconium, Zirconium tetrachloride

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About This Item

Linear Formula:
ZrCl4
CAS Number:
10026-11-6
Molecular Weight:
233.04
NACRES:
NA.23
PubChem Substance ID:
24861912
UNSPSC Code:
12352302
EC Number:
233-058-2
MDL number:
MFCD00011306
Assay:
≥99.9% trace metals basis
Form:
powder

Key Documents

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Product Name

Zirconium(IV) chloride, ≥99.9% trace metals basis

InChI key

DUNKXUFBGCUVQW-UHFFFAOYSA-J

InChI

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

SMILES string

Cl[Zr](Cl)(Cl)Cl

vapor pressure

1 mmHg ( 190 °C)

assay

≥99.9% trace metals basis

form

powder

reaction suitability

core: zirconium
reagent type: catalyst

Quality Level

100

greener alternative product characteristics

Catalysis
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sustainability

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impurities

≤1000.0 ppm Trace Metal Analysis

transition temp

sublimation point 331 °C

density

2.8 g/mL at 25 °C (lit.)

greener alternative category

Aligned

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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.

Features and Benefits

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pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H290,H314

Hazard Classifications

Met. Corr. 1 - Skin Corr. 1B

supp_hazards

EUH014,EUH071

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ6886
MKCX3262
MKCQ9592
MKCJ2713
MKCH6825

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Aldrichimica Acta, 18, 31-31 (1985)
Direct Amide Coupling of Non-activated Carboxylic Acids and Amines Catalysed by Zirconium(IV) Chloride
Lundberg H, et al.
Chemistry (Weinheim An Der Bergstrasse, Germany), 18(13), 3822-3826 null
Zirconium(IV) Chloride - Catalysed Reaction of Indoles: An Expeditious Synthesis of Bis(indolyl)methanes
Nagawade RR, et al.
Bull. Korean Chem. Soc., 26(12) (2005)
Eagleson M
Concise Encyclopedia Chemistry null
A facile zirconium(IV) chloride catalysed selective deprotection of t-butyldimethylsilyl (TBDMS) ethers
Sharma GVM, et al.
Tetrahedron Letters, 44, 4689-4691 (2003)
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