4-({bis[(4-oxopent-2-en-2-yl)oxy]ferrio}oxy)pent-3-en-2-one

• ChemBase ID: 147176
• Molecular Formular: C15H21FeO6
• Molecular Mass: 353.16864
• Monoisotopic Mass: 353.06875089
• SMILES: C/C(=C/C(=O)C)/O[Fe](O/C(=C\C(=O)C)/C)O/C(=C/C(=O)C)/C
• Canonical SMILES: C/C(=C/C(=O)C)/O[Fe](O/C(=C/C(=O)C)/C)O/C(=C\C(=O)C)/C
• InChI: InChI=1S/3C5H8O2.Fe/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
• InChIKey: AQBLLJNPHDIAPN-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({bis[(4-oxopent-2-en-2-yl)oxy]ferrio}oxy)pent-3-en-2-one
• IUPAC Traditional name: 4-({bis[(4-oxopent-2-en-2-yl)oxy]ferrio}oxy)pent-3-en-2-one
• Synonyms: Fe(acac)3; 2,4-Pentanedione iron(III) derivative; Ferric acetylacetonate; Iron(III) 2,4-pentanedionate; Iron(III) acetylacetonate; 2,4-戊二酮 铁(III) 衍生物; 2,4-戊二酸铁(III); 乙酰丙酮合铁; 乙酰丙酮铁(III)

Database IDs

• CAS Number: 14024-18-1
• EC Number: 237-853-5
• MDL Number: MFCD00000020
• Beilstein Number: 4157960
• PubChem SID: 24894833; 24868462; 162241367; 24873913
• PubChem CID: 54669729

CALCULATED PROPERTIES

• Acid pKa: 18.943684
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.4569
• LogD (pH = 7.4): 1.4569
• Log P: 1.4569
• Molar Refractivity: 82.2747 cm^3
• Polarizability: 33.433136 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180-182 °C (dec.)(lit.); 180-190 °C (dec.)
• Density: 5.24 g/mL at 25 °C(lit.)

Safety Information

• RTECS: NO8960000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (RT); ≥99.9% trace metals basis; 97%
• Grade: purum
• Linear Formula: Fe(C5H7O2)3

DETAILS

Sigma Aldrich - 517003

Application
MOCVD precursor for highly crystalline (Zn,Fe)Fe2O4 films and magnetic property measurements of these films.1
Packaging
10 g in glass bottle
50 g in poly bottle
Protocols & Applications
Chemical Synthesis of Monodisperse Magnetic Nanoparticles

Sigma Aldrich - F300

Application
MOCVD precursor for highly crystalline (Zn,Fe)Fe2O4 films and magnetic property measurements of these films.1
Packaging
25, 100, 500 g in glass bottle

Sigma Aldrich - 44920

Application
MOCVD precursor for highly crystalline (Zn,Fe)Fe2O4 films and magnetic property measurements of these films.1
Other Notes
Catalyst used in Grignard reactions with acid chlorides to give ketones2,3