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14024-18-1 molecular structure
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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 and InChIs

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

Cite this record

CBID:147176 http://www.chembase.cn/molecule-147176.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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)
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

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 54669729 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.943684  H Acceptors
H Donor LogD (pH = 5.5) 1.4569 
LogD (pH = 7.4) 1.4569  Log P 1.4569 
Molar Refractivity 82.2747 cm3 Polarizability 33.433136 Å3
Polar Surface Area 78.9 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
180-182 °C (dec.)(lit.) expand Show data source
180-190 °C (dec.) expand Show data source
Density
5.24 g/mL at 25 °C(lit.) expand Show data source
RTECS
NO8960000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥97.0% (RT) expand Show data source
≥99.9% trace metals basis expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Linear Formula
Fe(C5H7O2)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 517003 external link
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 external link
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 external link
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

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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