Iridium acetylacetonate - ≥97% , CAS No.15635-87-7

CAS: 15635-87-7 Cat. No.: I138305 Molecular Weight: 489.54 EC Number: 239-711-8 PubChem CID: 11027360

GRADE & PURITY ≥97%

Synonyms

[Ir(acac)3] | iridium(3+);(Z)-4-oxopent-2-en-2-olate | MFCD00015353 | (Z)-4-hydroxypent-3-en-2-one;iridium | Iridium(III) 2,4-pentanedionate | Iridium(III) acetylacetonate, 97% | Iridium(III) acetylacetonate | Tris(2,4-pentanedionato)iridium(III) | T71857

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Iridium(III) acetylacetonate is a thermallystable organic precursor widely used in the chemical vapor deposition process.It has relatively high saturated vapor pressure and low sublimationenthalpy.

Product class

M-O, Homogeneous Catalysts, Electronic Materials, PGM based Electronic Materials, Acetylacetonate Ligands

Chemical properties

Chemical formula

C15H21O6Ir

Empirical formula

[Ir(acac)3]

Molecular weight

489.54

Metal

Ir

Theoretical metal content

39

Physical state

powder

Color

yellow

Specifications

Synonyms

[Ir(acac)3] | iridium(3+);(Z)-4-oxopent-2-en-2-olate | MFCD00015353 | (Z)-4-hydroxypent-3-en-2-one;iridium | Iridium(III) 2, 4-pentanedionate | Iridium(III) acetylacetonate, 97% | Iridium(III) acetylacetonate | Tris(2, 4-pentanedionato)iridium(III) | T71857

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488197071
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197071
• Canonical Smiles: CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Ir]
• IUPAC Name: (Z)-4-hydroxypent-3-en-2-one;iridium
• InChIKey: AZFHXIBNMPIGOD-LNTINUHCSA-N
• INCHI: 1S/3C5H8O2.Ir/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b3*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.[Ir]
• WGK Germany: 3
• PubChem CID: 11027360
• Molecular Weight: 489.54

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 Enols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Vinylogous acid - Enone - Acryloyl-group - Ketone - Organic transition metal salt - Enol - Organic oxide - Hydrocarbon derivative - 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: Insoluble in water; soluble in chloroform and benzene; slightly soluble in ethanol and methanol
• Sensitivity: Hygroscopic
• Melt Point(°C): 269-271°C
• Molecular Weight: 492.560 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 493.12 Da
• Monoisotopic Mass: 493.12 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 380.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 4

XLogP3

References

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