66684-58-0
3,4,5-Trifluoronitrobenzene
CAS: 66684-58-0
Molecular Formula: C6H2F3NO2
66684-58-0 - Names and Identifiers
| Name | 3,4,5-Trifluoronitrobenzene |
| Synonyms | 3,4,5-Trifluoronitro 5-Trifluoronitrobenzene 3,4,5-Trifluoronitrobenzene 3,4,5-TRIFLUORONITROBENZENE 1,2,3-Trifluoro-5-nitrobenzene 1-NITRO-3,4,5-TRIFLUOROBENZENE 5-Nitro-1,2,3-trifluorobenzene 1,2,3-TRIFLUORO-5-NITROBENZENE 2,3-difluoro-1-methoxy-4-nitrobenzene 1,2,3-Trifluoro-5-nitrobenzene, 1-Nitro-3,4,5-trifluorobenzene |
| CAS | 66684-58-0 |
| EINECS | 266-447-0 |
| InChI | InChI=1/C7H5F2NO3/c1-13-5-3-2-4(10(11)12)6(8)7(5)9/h2-3H,1H3 |
66684-58-0 - Physico-chemical Properties
| Molecular Formula | C6H2F3NO2 |
| Molar Mass | 177.08 |
| Density | 1.517 g/mL at 25 °C (lit.) |
| Boling Point | 208.6±35.0 °C(Predicted) |
| Flash Point | 167°F |
| Vapor Presure | 0.007mmHg at 25°C |
| Appearance | clear liquid |
| Color | Light yellow to Yellow to Orange |
| BRN | 2455018 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.486(lit.) |
| Physical and Chemical Properties | Light yellow transparent liquid. |
66684-58-0 - Risk and Safety
| Risk Codes | 25 - Toxic if swallowed |
| Safety Description | 45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 2810 6.1/PG 3 |
| WGK Germany | 3 |
| HS Code | 29049090 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
66684-58-0 - Reference Information
| Application | 3,4, 5-trifluoronitrobenzene is an intermediate for the synthesis of fluorinated drugs, it has a density of 1.517g/mL at 25 ° C., a flash of 167 ° F., stored at room temperature, and is a pale yellow transparent liquid. 3,4, 5-trifluoronitrobenzene can be obtained by fluorination of 3, 5-dichloro-4-fluoronitrobenzene. |
| preparation | the preparation method of 3,4, 5-trifluoronitrobenzene comprises the following steps:(1) add 220g of DMSO and 120g of 3, 5-dichloro-4-fluoronitrobenzene into an anhydrous reaction flask, turn on the mixer, raise the temperature to 70 ℃ under reduced pressure, and stir for 3H;(2) after stirring, add 83g KF and 10g TBAF to the reaction flask for dehydration under reduced pressure for 1-4H;(3) after the distillation head has no water droplets, heat up to 120 ℃, react at ultrasonic power of 15kHz, and track the reaction process by GC, the reaction was completed after 2.5 hours, then cooled to 70-75 °c, filtered while hot, and the filtrate was fractionated to give DMSO and 3,4, 5-trifluoronitrobenzene. The yield of the product was 97.8%. |
| Use | pharmaceutical pesticide intermediates. |
Last Update：2024-04-09 02:00:10
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