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| CAS No.: | 31904-29-7 |
|---|---|
| Name: | Butylferrocene |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C14H18Fe |
| Molecular Weight: | 298.251 |
| Synonyms: | Iron,(butylcyclopentadienyl)cyclopentadienyl- (6CI,7CI);n-Butylcyclopentadienyl(cyclopentadienyl)iron;n-Butylferrocene; |
| EINECS: | 250-862-9 |
| Density: | 1.172 g/cm3 |
| Melting Point: | 10 - 12oC |
| Boiling Point: | 232 °C(630mmHg) |
| Flash Point: | >110 °C |
| Solubility: | insoluble in water |
| Appearance: | dark orange liquid |
| Hazard Symbols: |
 Xn, Xi, T
|
| Risk Codes: | R22; R36/37/38; R25 |
| Safety: | 24/25 |
| PSA: | 0.00000 |
| LogP: | 3.60090 |
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Specification
The Butylferrocene, with the CAS registry number 31904-29-7, has the systematic name of 1,2,3,4,5-cyclopentanepentayl, compd. with 1-butyl-1,2,3,4,5-cyclopentanepentayl, iron salt (1:1:1). For being a kind of dark orange liquid, this is stable and sensitive to air but incompatible with strong oxidizing agents. Besides, it has the product categories which are including Industrial/Fine Chemicals; Ferrocene series; Organometallics; Catalysis and Inorganic Chemistry; Chemical Synthesis. When you are dealing with this chemical, avoid contacting the skin and eyes.
The characteristics of this chemical are as follows: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Density: 1.172; (5)Boiling point: 232 °C (630 mmHg); (6)Refractive index: 1.576-1.579.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:CCCC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe]
(2)InChI:InChI=1/C9H13.C5H5.Fe/c1-2-3-6-9-7-4-5-8-9;1-2-4-5-3-1;/h4-5,7-8H,2-3,6H2,1H3;1-5H;
(3)InChIKey:JHROYCKFRINACS-UHFFFAOYAN