Zirconium(IV) acetylacetonate - ≥90% , CAS No.17501-44-9

CAS: 17501-44-9 Cat. No.: Z573179 Molecular Weight: 487.66 Beilstein Registry Number: 4160373 EC Number: 241-510-5 PubChem CID: 5463922

GRADE & PURITY ≥90%

Synonyms

Zirconium acetylacetonate|Orgatix ZC 150|Tetraacetylacetonate zirconium|Nasemu Zirconium|Zirconium(IV) acetylacetonate|Zirconium tetraacetylacetonate|Tetrakis(acetylacetonato)zirconium|Zirconium tetrakis(acetylacetonate)|17501-44-9|Tetrakis(pentane-2,4-di

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Zirconium acetylacetonate | Orgatix ZC 150 | Tetraacetylacetonate zirconium | Nasemu Zirconium | Zirconium(IV) acetylacetonate | Zirconium tetraacetylacetonate | Tetrakis(acetylacetonato)zirconium | Zirconium tetrakis(acetylacetonate) | 17501-44-9 | Tetrakis(pentane-2, 4-di

Specifications & Purity

≥90%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 504763844
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763844
• Canonical Smiles: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Zr+4]
• IUPAC Name: (Z)-4-oxopent-2-en-2-olate;zirconium(4+)
• InChIKey: FPFOSIXCIBGKOH-MTOQALJVSA-J
• INCHI: 1S/4C5H8O2.Zr/c4*1-4(6)3-5(2)7;/h4*3,6H,1-2H3;/q;;;;+4/p-4/b4*4-3-
• Isomeric SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Zr+4]
• WGK Germany: 3
• RTECS: ZH9280000
• PubChem CID: 5463922
• Molecular Weight: 487.66
• Beilstein: 4160373

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated ketones
            • Level7 Enones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
• Direct Parent: Enones
• Alternative Parents: Vinylogous acids Acryloyl compounds Ketones Organic transition metal salts Enolates Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Vinylogous acid - Enone - Acryloyl-group - Ketone - Organic transition metal salt - Enolate - Organic oxide - Hydrocarbon derivative - Organic salt - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Easy to absorb moisture; Sensitive to air
• Melt Point(°C): 191-195°C
• Molecular Weight: 487.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 486.083 Da
• Monoisotopic Mass: 486.083 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 90.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 5

XLogP3

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