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| CAS No.: | 12126-50-0 |
|---|---|
| Name: | Bis(pentamethylcyclopentadienyl)iron |
| Article Data: | 7 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C20H30Fe |
| Molecular Weight: | 326.305 |
| Synonyms: | Ferrocene,decamethyl- (8CI,9CI);Bis(pentamethylcyclopentadienyl)iron;Bis(pentamethylcyclopentadienyl)iron(II);Bis(h5-pentamethylcyclopentadienyl)iron;Permethylferrocene; |
| Melting Point: | 277 °C (dec.)(lit.) |
| Boiling Point: | 170.2 °C at 760 mmHg |
| Flash Point: | 44.4 °C |
| Solubility: | Insoluble in water. |
| Appearance: | crystalline solid |
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25 |
| PSA: | 0.00000 |
| LogP: | 5.94150 |
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Specification
The Bis(pentamethylcyclopentadienyl)iron, with the CAS registry number of 12126-50-0, is also known as Ferrocene, decamethyl-. This chemical's molecular formula is C20H30Fe and molecular weight is 326.3005. What's more, its systematic name is called Iron; 1, 2, 3, 4, 5-pentamethylcyclopenta-1, 3-diene; 1, 2, 3, 4, 5-pentamethylcyclopentane. And Bis(pentamethylcyclopentadienyl)iron is a sandwich compound. It is similar in structure and bonding to Ferrocene, but with a methyl group on each of the carbons of the Cp rings. In addition, it must be stored in airtight containers filled with inert gases and placed in a dry place at room temperature. Meanwhile, it should be avoided contact with light, air, oxidant, moisture.
Physical properties about Bis(pentamethylcyclopentadienyl)iron are: (1)ACD/LogP: 4.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 0 Å2; (7)Flash Point: 44.4 °C; (8)Enthalpy of Vaporization: 38.99 kJ/mol; (9)Boiling Point: 170.2 °C at 760 mmHg; (10)Vapour Pressure: 1.97 mmHg at 25 °C.
Preparation: Bis(pentamethylcyclopentadienyl)iron is prepared in the same manner as Ferrocene from Pentamethylclyclopentadiene. This method may be used to produce other decamethylcyclopentadienyl sandwich compounds. The product can be purified by sublimation.
2Li(C5Me5) + FeCl2 → Fe(C5Me5)2 + 2LiCl
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: [Fe].c1([c-](c(c(c1C)C)C)C)C.[C-]1([C-]([C-]([C-]([C-]1C)C)C)C)C
(2) InChI: InChI=1/2C10H15.Fe/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;/q-5;-1;
(3) InChIKey: VKRKSGODPDKGAD-UHFFFAOYAR