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Iron(3+);tris(pentane-2,4-dione)

HCID 71306751
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
14024-18-1
Standard SMILES
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[Fe+3]
InChIKey
KAMWVXQBCBPBND-UHFFFAOYSA-N
Molecular formula
C15H21FeO6
Average molar mass
353.17 g/mol
Monoisotopic mass
353.068749

Names & identifiers

Preferred name
Iron(3+);tris(pentane-2,4-dione)
IUPAC
iron(3+);tris(pentane-2,4-dione)
English name
Ferric acetylacetonate
Molecular formula
C15H21FeO6
Molecular weight
353.17

Names & synonyms

Fe(acac)3IRON(III) ACETYLACETONATEIRON ACETYLACETONATEIron triacetylacetonateTRIS(2,4-PENTANEDIONATO)IRON(III)acetonateIron (Ⅲ) acetylacetonateTris(acetylacetonato)ironIRON (III) 2,4-PENTANEDIONATETRIS(ACETYLACETONATO)IRON(III)

Database identifiers

CAS
14024-18-1
PubChem CID
71306751
DTXSID
DTXSID3051707

Properties

Computed structural properties

Topological polar surface area
102 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
0
Heavy atoms
22
Formal charge
0
Complexity
314

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)
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-;

Safety & regulation

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

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

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

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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
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