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8.08915

Zirconium(IV) acetylacetonate

for synthesis

greener alternative

Greener Alternative

Synonym(s):

Zirconium(IV) acetylacetonate, Tetrakis(2,4-pentanedionato)zirconium(IV), Tetrakis(acetylacetonato)zirconium(IV)

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About This Item

Empirical Formula (Hill Notation):
C20H28O8Zr
CAS Number:
17501-44-9
Molecular Weight:
487.66
UNSPSC Code:
12352103
EC Index Number:
241-510-5
NACRES:
NA.22
MDL number:
MFCD00000036
eCl@ss:
32150312
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Quality Segment

form

powder

potency

719 mg/kg LD50, oral (Rat)

greener alternative product characteristics

Catalysis
Learn more about the Principles of Green Chemistry.

sustainability

Sustainability features

pH

7.2 (20 °C, 4.5 g/L in H2O)

mp

189-192 °C

solubility

14 g/L

bulk density

500 kg/m3

greener alternative category

storage temp.

2-30°C

SMILES string

[Zr+4].O=C([C-H]C(=O)C)C.O=C([C-H]C(=O)C)C.O=C([C-H]C(=O)C)C.O=C([C-H]C(=O)C)C

InChI

1S/4C5H7O2.Zr/c4*1-4(6)3-5(2)7;/h4*3H,1-2H3;/q4*-1;+4

InChI key

DFPGFWYWSAYLCW-UHFFFAOYSA-N

General description

This product aligns with one or more of the 12 Principles of Green Chemistry. Zirconium(IV) acetylacetonate is a Lewis acid catalyst for advanced organic transformations. When combined with chiral ligands, it enables highly enantioselective reactions including asymmetric aldol additions, Meerwein-Ponndorf-Verley reductions, and cyanosilylation. The complex also functions as a precursor for preparing zirconia-based heterogeneous catalysts used in industrial oxidation processes and biodiesel production. Click here for more information.

Application

  • New metallo-organic complex of zirconium (IV): A precursor for nano structured ZrO2 (VG Prasanth et al., 2015).
  • Zirconium (IV) acetylacetonate as a ring-opening initiator: Mediating one-step synthesis of biodegradable polyacids (P Dobrzyński et al., 2019).
  • Decomposition insights using synchrotron radiation: Formation of volatile Zr-intermediates (S Grimm et al., 2022).
  • High-performance polymer solar cells: Employing zirconium acetylacetonate film as cathode buffer layer (Z Tan et al., 2014).
  • Preparation of zirconia nanofibers: Using electrospinning and calcination with zirconium acetylacetonate as precursor (VV Rodaev et al., 2019).

Analysis Note

Assay (ex Zr): ≥ 98.0 %
Melting range (lower value): ≥ 187 °C
Melting range (upper value): ≤ 192 °C
Identity (IR): passes test

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Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Codes

H228,H302

Hazard Classifications

Acute Tox. 4 Oral - Flam. Sol. 1

Storage Class

4.1B - Flammable solid hazardous materials

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

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