Iridium(III) (Z)-4-oxopent-2-en-2-olate

Base Information

• Chemical Name: Iridium(III) (Z)-4-oxopent-2-en-2-olate
• CAS No.: 15635-87-7
• Molecular Formula: C15H21IrO6
• Molecular Weight: 489.54
• Hs Code.: 28439000
• European Community (EC) Number: 239-711-8
• DSSTox Substance ID: DTXSID40935428
• Wikipedia: Iridium_acetylacetonate
• Mol file: 15635-87-7.mol

Synonyms:Iridium(III) acetylacetonate;15635-87-7;Iridium(III) (Z)-4-oxopent-2-en-2-olate;Iridium acetylacetonate;Ir(acac)3;DTXSID40935428;Acetylacetonato Iridium(III) Salt;T2557

Chemical Property of Iridium(III) (Z)-4-oxopent-2-en-2-olate

Chemical Property:

• Appearance/Colour: orange-yellow crystals
• Melting Point: 269-271 °C(lit.)
• Boiling Point: 260 °C/1mmHg
• PSA: 78.90000
• LogP: 2.88030
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Insoluble in water; soluble in chloroform and benzene; slightly soluble in ethanol and methanol.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 490.09674
• Heavy Atom Count: 22
• Complexity: 90.4

Purity/Quality:

99.0% ^*data from raw suppliers

Iridium(III) acetylacetonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-40
• Safety Statements: 45-37/39-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Ir+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+3]
• Uses: Iridium(III) acetylacetonate is used as a photoreducing agent, a precursor for preparing Ir-C thin film and a catalyst for hydrogenation of sulfur containing compounds. Used in various catalysis reactions in organic synthesis, including carbon nanostructures.