3-Octylthiophene
3-Octylthiophene
CAS: 65016-62-8
Molecular Formula: C12H20S
3-Octylthiophene - Names and Identifiers
| Name | 3-Octylthiophene |
| Synonyms | S1032 3-OCLylthiophene 3-OCTYLTHIOPHENE 3-Octylthiophene 3-N-OCTYLTHIOPHENE thiophene, 3-octyl- thiophene, 3-octyl-, homopolymer |
| CAS | 65016-62-8 |
| InChI | InChI=1/C12H20S/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-8H2,1H3 |
| InChIKey | WQYWXQCOYRZFAV-UHFFFAOYSA-N |
3-Octylthiophene - Physico-chemical Properties
| Molecular Formula | C12H20S |
| Molar Mass | 196.35 |
| Density | 0.92 g/mL at 25 °C (lit.) |
| Melting Point | -19.15°C (estimate) |
| Boling Point | 106-107 °C/3 mmHg (lit.) |
| Flash Point | >230°F |
| Solubility | Soluble in organic solvents. |
| Vapor Presure | 0.0164mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 0.92 |
| Color | Colorless |
| Storage Condition | Keep in dark place,Sealed in dry,2-8°C |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| Refractive Index | n20/D 1.492(lit.) |
| MDL | MFCD00085281 |
3-Octylthiophene - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| HS Code | 29349990 |
3-Octylthiophene - Reference Information
| Overview | 3-octylthiophene is thiophene organic compounds, mainly used in organic electroluminescence, photovoltaic cells, light detection, applications in the fields of chemical and biological sensing and organic lasers. |
| preparation | 3-octylthiophene was prepared as follows: 3-bromothiophene (1.63g,10mmol) and (1,1 '-bis (diphenylphosphino) ferrocene) nickel dichloride (0.34g,0.5mmol) was dissolved in 50ml of anhydrous tetrahydrofuran and the ice bath was lowered to 0 °c. A solution of N-octyl magnesium bromide in tetrahydrofuran (12ml, 12mmol) was slowly added dropwise. After completion of the dropwise addition, the mixture was heated to 60 ° C. For 6 hours. After completion of the reaction, the reaction was quenched with a small amount of deionized water, and after the tetrahydrofuran solvent was spin-dried under reduced pressure, the product was extracted with dichloromethane, washed with a saturated sodium chloride solution for 3 times, and the organic phase was spin-dried. The crude product was purified by column chromatography using petroleum ether as eluent to give colorless liquid product in 90% yield. The results of 1H NMR, 13C NMR, MS and elemental analysis indicated that the obtained compound was the target product 3-octylthiophene. |
Last Update：2024-04-09 20:13:35
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