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8.08913

Sigma-Aldrich

Zirconium(IV) chloride

anhydrous, for synthesis

Synonym(s):

Zirconium(IV) chloride, Zirconium tetrachloride

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About This Item

Empirical Formula (Hill Notation):
Cl4Zr
CAS Number:
10026-11-6
Molecular Weight:
233.04
MDL number:
MFCD00011306
UNSPSC Code:
12352302
EC Index Number:
233-058-2
NACRES:
NA.22

vapor pressure

1.3 hPa ( 190 °C)

Quality Level

200

form

crystals

potency

1688 mg/kg LD50, oral (Rat)

pH

<1 (20 °C in H2O, saturated aqueous solution)

mp

437 °C

density

2.80 g/cm3 at 15 °C

bulk density

1200 kg/m3

storage temp.

2-30°C

InChI

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

InChI key

DUNKXUFBGCUVQW-UHFFFAOYSA-J

General description

Zirconium(IV) chloride is a Lewis acid catalyst, widely used in organic synthesis for the preparation of useful key intermediates. Since it is a stable and environmentally friendly catalyst used in various chemical reactions such as carbon-carbon bond formation reactions, reduction reactions, protection, and deprotection reactions.

Application

Zirconium(IV) chloride can be used as a catalyst to synthesize:
  • β-amino alcohols by ring-opening of epoxides with aromatic amines.
  • β-amino analogs via conjugate addition of aliphatic amines to α,β-unsaturated ester, nitriles, and ketones.
  • 1,3,4-oxadiazole derivatives by cyclodehydration of 1,2-diacylhydrazines.
  • 3,4-Dihydropyrimidinone derivatives via Biginelli condensation reaction of aromatic aldehyde, β-ketoester, and urea.

Analysis Note

Assay (argentometric): ≥ 98.0 %
Hafnium (Hf): ≤ 40 ppm
Identity (ICP-OES): passes test

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H290 - H314

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

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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Zirconium (IV) Chloride-Mediated Chemoselective Conjugate Addition of Aliphatic Amines to α, β-Ethylenic Compounds
Meshram HM, et al.
Synthetic Communications, 36(6), 795-801 (2006)
Zirconium (IV) chloride catalyzed one-pot synthesis of 3, 4-dihydropyrimidin-2 (1H)-ones
Reddy Ch Venkateshwar, et al.
Tetrahedron Letters, 43(14), 2657-2659 (2002)
Zirconium (IV) Chloride Mediated Cyclodehydration of 1, 2-Diacylhydrazines: A Convenient Synthesis of 2, 5-Diaryl 1, 3, 4-Oxadiazoles
Sharma GVM, et al.
Synthetic Communications, 34(13), 2387-2391 (2004)
Zirconium (IV) chloride catalyzed ring opening of epoxides with aromatic amines
Swamy NR, et al.
Synthetic Communications, 34(4), 727-734 (2004)
Applications of zirconium (IV) chloride in organic synthesis
Smitha G, et al.
Synthesis, 2008(06), 829-855 (2008)

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