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Ferric acetylacetonate

HCID 5483663
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
14024-18-1
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

Overview

See also: Iron (III) acetylacetonate (annotation moved to); tris(pentane-2,4-dionato)iron(III) (annotation moved to).

Names & identifiers

Preferred name
Ferric acetylacetonate
IUPAC
iron(3+);tris((Z)-4-oxopent-2-en-2-olate)
English name
Ferric acetylacetonate
Molecular formula
C15H21FeO6
Molecular weight
353.17

Names & synonyms

Iron(III) acetylacetonateIron acetylacetonateIron tris(acetoacetonate)Iron tris(acetylacetonate)Nasemu IronFerric acetylacetonateTris(acetylacetonato)ironAcetope Fe(II)(Acetylacetonato)iron(III)Tris(actylacetone)ironTris(acetylacetone)ironIron tris(2,4-pentanedioate)
Show more names
Fe(acac)3TRIS(2,4-PENTANEDIONATO)IRON(III)acetonateIron (Ⅲ) acetylacetonateIRON (III) 2,4-PENTANEDIONATETRIS(ACETYLACETONATO)IRON(III)
Tris(actylacetonato) ironFerric tris(acetylacetonate)Iron acetylacetonate (VAN)Iron triacetylacetonateNSC 43622Iron tris(2,4-pentanedionato)Iron(3+) acetylacetonateAI3-60038

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
90.4

Experimental & physicochemical properties

Chemical ClassesMetals -> Organic Compounds, Metal Salts
Physical Description · 2 items

Dry Powder

Dark red powder; Insoluble in water; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
180 · 180-182 °C (dec.)(lit.)
Boiling point
110 °C · 110°C 2mm
Density
5.24 g/mL · 5.24 g/mL at 25 °C(lit.)
bulk density
500 kg/m3 · 500kg/m3
vapor pressure
2.6 hPa · 2.6 hPa (110 °C)
storage temp.
30 °C · Store below +30°C.
solubility
Soluble in toluene.
form
Powder
color
Red
Specific Gravity
5.24 · 5.24
Water Solubility
2 g/L · 2 g/L (20 ºC)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory Information · 1 item

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).

Safety data

F
21
PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
NO8960000
hs_code
29420000
Toxicity
LD50 orally in Rabbit: 1872 mg/kg
risk_code
22-36
Signal word
Danger
Symbol(GHS)
GHS05,GHS07
hazard_code
Xn
safety_code
26-37/39
Storage Class
11 - Combustible Solids
Hazard statements
H302+H312+H332-H318
REACH Registrations
Active
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1
Precautionary statements
P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Uses & manufacturing

UsesUsed for scientific research and development; [Alfa Aesar MSDS]
U.S. Production2023: 4,200 lb
Industry UsesCatalyst
General Manufacturing Information · 2 items

All Other Basic Organic Chemical Manufacturing

Iron, tris(2,4-pentanedionato-.kappa.O2,.kappa.O4)-, (OC-6-11)-: ACTIVE

Applications · 4 items

UsesModerating and combustion catalyst, solid fuel catalyst, bonding agent, curing accelerator, intermediate.

UsesIron(III) 2,4-pentanedionate is used as a precatalyst and reagent in organic chemistry. It acts as a precursor for highly crystalline (Zn, Fe)Fe2O4

UsesChemical Synthesis of Monodisperse Magnetic Nanoparticles

General DescriptionThis product has been enhanced for catalytic efficiency.

Preparation methods

PreparationFerric acetylacetonate is prepared by shaking ferric hydroxide with an alcoholic solution of the reagent. It is an excellent quencher of triplet states.

Upstream & downstream products

Downstream products

2-Hexanone, 4-hydroxy- (6CI,9CI)FERRIC CITRATE

Related reactions

473 records
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HRID 69080 reaction equation
HRID 69080As catalystuspto-grants-2014_09
HRID 70249 reaction equation
HRID 70249As catalystuspto-grants-2014_09
HRID 242442 reaction equation
HRID 242442As catalystuspto-grants-2014_02
HRID 243792 reaction equation
HRID 243792As catalystuspto-grants-2014_02
HRID 410148 reaction equation
HRID 410148As catalystuspto-grants-2014_06
HRID 422549 reaction equation
HRID 422549As catalystuspto-grants-2012_01
HRID 495246 reaction equation
HRID 495246As catalystuspto-grants-2009_05
HRID 521665 reaction equation
HRID 521665As catalystuspto-grants-2016_05
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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Hydrolytic Sensitivity
4 · 4: no reaction with water under neutral conditions
BRN
4157960 · 4157960
Exposure limits
1 mg/m3NIOSH: · ACGIH: TWA 1 mg/m3NIOSH: TWA 1 mg/m3
Stability
Stable. Incompatible with strong bases, strong oxidizing agents.
InChI
1S/3C5H8O2.Fe/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;
InChIKey
AQBLLJNPHDIAPN-LNTINUHCSA-K
SMILES
CC(=O)\C=C(\C)O[Fe](O\C(C)=C/C(C)=O)O\C(C)=C/C(C)=O
LogP
0.4 at · 0.4 at 20℃
EWG's Food Scores
1 · 1
FDA UNII
118 BHF260P · 118BHF260P
NIST Chemistry Reference
Iron tris(acetylacetonate)(14024-18-1)
EPA Substance Registry System
Iron, tris(2,4-pentanedionato-.kappa.O,.kappa.O')-, (OC-6-11)- (14024-18-1)
UNSPSC Code
12352103 · 12352103
NACRES
23 · NA.23
Symbol(GHS)
5 · GHS05,GHS07
Signal word
Danger
Hazard statements
302 · H302+H312+H332-H318
Precautionary statements
261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
PPE
95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes
Xn
Risk Statements
22 · 22-36
Safety Statements
26 · 26-37/39
WGK Germany
3 · 3
RTECS
8960000 · NO8960000
F
21 · 21
TSCA
TSCA listed
HS Code
29420000 · 29420000
Storage Class
11 · 11 - Combustible Solids
Hazard Classifications
4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1
Toxicity
50 orally · LD50 orally in Rabbit: 1872 mg/kg
REACH Registrations
Active