WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 558466
CAS#: 1271-55-2
Description: 1-Acetylferrocene is an organoiron compound with the formula Fe. It consists of ferrocene substituted by an acetyl group on one of the cyclopentadienyl rings. It is an orange, air-stable solid that is soluble in organic solvents.
MedKoo Cat#: 558466
Name: 1-Acetylferrocene
CAS#: 1271-55-2
Chemical Formula: C12H12FeO
Exact Mass: 228.02
Molecular Weight: 228.07
Elemental Analysis: C, 63.20; H, 5.30; Fe, 24.49; O, 7.01
Synonym: 1-Acetylferrocene; 1 Acetylferrocene; 1Acetylferrocene; Acetoferrocene; Acetylferrocene;
IUPAC/Chemical Name: iron(II) 1-acetylcyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
InChi Key: SPKJCVZOZISLEI-UHFFFAOYSA-N
InChi Code: InChI=1S/C7H7O.C5H5.Fe/c1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h2-5H,1H3;1-5H;/q2*-1;+2
SMILES Code: O=C(C)[C-]1C=CC=C1.C2=C[CH-]C=C2.[Fe+2]
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.03.00
The following data is based on the product molecular weight 228.07 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
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2: Zhang J, Liu WY, Zhang X. [Study of the characterization of beta-cyclodextrin-acetylferrocene-thiosemicarbazone inclusion complex and micro-environmental effects]. Guang Pu Xue Yu Guang Pu Fen Xi. 2005 Oct;25(10):1568-72. Chinese. PubMed PMID: 16395884.
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4: Leung HW, Hallesy DW, Shott LD, Murray FJ, Paustenbach DJ. Toxicological evaluation of substituted dicyclopentadienyliron (ferrocene) compounds. Toxicol Lett. 1987 Sep;38(1-2):103-8. PubMed PMID: 3629622.
5: Bertau M, Jörg G. Saccharides as efficacious solubilisers for highly lipophilic compounds in aqueous media. Bioorg Med Chem. 2004 Jun 1;12(11):2973-83. PubMed PMID: 15142556.
6: Vashisht Gopal YN, Jayaraju D, Kondapi AK. Topoisomerase II poisoning and antineoplastic action by DNA-nonbinding diacetyl and dicarboxaldoxime derivatives of ferrocene. Arch Biochem Biophys. 2000 Apr 1;376(1):229-35. PubMed PMID: 10729210.
