Basic information
- Standard SMILES
CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[Fe+3]- InChIKey
AQBLLJNPHDIAPN-LNTINUHCSA-K- Molecular formula
- C15H21FeO6
- Average molar mass
- 353.17 g/mol
- Monoisotopic mass
- 353.068749
Names & identifiers
- Preferred name
- Ferric acetylacetonate
- IUPAC
- iron(3+);tris((Z)-4-oxopent-2-en-2-olate)
Names & synonyms
Ferric acetylacetonateIron(III) acetylacetonateIron acetylacetonateNasemu IronIron tris(acetoacetonate)Iron tris(acetylacetonate)Acetope Fe(II)(Acetylacetonato)iron(III)Tris(acetylacetone)ironTris(actylacetone)ironTris(actylacetonato) ironFerric tris(acetylacetonate)
Show more names
Iron acetylacetonate (VAN)Iron triacetylacetonateIron tris(2,4-pentanedioate)Tris(acetylacetonato)ironIron tris(2,4-pentanedionato)Iron(3+) acetylacetonateFerric tris(acetoacetonate)118BHF260P
Database identifiers
- CAS
14024-18-1- PubChem CID
- 5483663
- UNII
- 118BHF260P
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 90
Experimental & physicochemical properties
Physical Description
Dry Powder
Dark red powder; Insoluble in water; [Alfa Aesar MSDS]
Safety & regulation
Hazard information
Regulatory Information
Iron, tris(2,4-pentanedionato-.kappa.O2,.kappa.O4)-, (OC-6-11)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Iron, tris(2,4-pentanedionato-.kappa.O2,.kappa.O4)-, (OC-6-11)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hazards SummaryIntraperitoneal LD50 (mouse) = 76 mg/kg; [RTECS] An eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See Iron oxide (Fe2O3).
Regulatory information
Regulatory Information
Iron, tris(2,4-pentanedionato-.kappa.O2,.kappa.O4)-, (OC-6-11)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Iron, tris(2,4-pentanedionato-.kappa.O2,.kappa.O4)-, (OC-6-11)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Chemistry & industry
Uses & manufacturing
UsesUsed for scientific research and development; [Alfa Aesar MSDS]
U.S. Production2023: 4,200 lb；2022: 3,300 lb；2020: 26,800 lb
Industry UsesCatalyst
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Iron, tris(2,4-pentanedionato-.kappa.O2,.kappa.O4)-, (OC-6-11)-: ACTIVE
Related reactions
473 records
Linked notes
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