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| CAS No.: | 1271-51-8 |
|---|---|
| Name: | Vinylferrocene |
| Article Data: | 100 |
| Molecular Structure: | |
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| Formula: | C12H12Fe |
| Molecular Weight: | 212.074 |
| Synonyms: | poly(vinyl-ferrocene);Ferrocene,ethenyl;vinyl ferrocene;ethenylferrocene;Vinylferrocene; |
| EINECS: | 215-041-1 |
| Melting Point: | 51-53 °C(lit.) |
| Boiling Point: | 80-85 °C/0.2 mm Hg(lit.) |
| Flash Point: | 62 °C |
| Solubility: | Insoluble in water. |
| Appearance: | stalline solid |
| Hazard Symbols: |
 F
|
| Risk Codes: | 11-22 |
| Safety: | 16-22-24/25-7/9-33 |
| Transport Information: | UN 1325 4.1/PG 2 |
| PSA: | 0.00000 |
| LogP: | 2.59670 |
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Specification
This chemical is called Vinylferrocene, and its CAS registry number is 1271-51-8. With the molecular formula of C12H12Fe, its product categories are Classes of Metal Compounds; Fe (Iron) Compounds; Ferrocenes; Metallocenes; Transition Metal Compounds; Catalysis and Inorganic Chemistry; Chemical Synthesis. Additionally, it should be stored at the temperature of 2-8°C. It's incompatible with strong acids, strong oxidizing agents.
Other characteristics of the Vinylferrocene can be summarised as followings: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.36; (6)ACD/BCF (pH 7.4): 43.36; (7)ACD/KOC (pH 5.5): 516.98; (8)ACD/KOC (pH 7.4): 516.98; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Flash Point: 11 °C; (13)Enthalpy of Vaporization: 35.49 kJ/mol; (14)Boiling Point: 132.6 °C at 760 mmHg; (15)Vapour Pressure: 10.8 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is highly flammable. Keep it away from sources of ignition. It's harmful if swallowed. Avoid contacting with skin and eyes. Keep the container tightly closed and take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C7H7.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h2-6H,1H2;1-5H;/q2*-1;+2
2.Smiles: C=1C=C[C-](C1)C=C.C=1C=C[CH-]C1.[Fe+2]