- 3,4,5-Trifluoronitrobenzene
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- $35.00 / 1kg
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2024-04-18
- CAS:66684-58-0
- Min. Order: 1kg
- Purity: 99%
- Supply Ability: g-kg-tons, free sample is available
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| | 3,4,5-Trifluoronitrobenzene Basic information |
| Product Name: | 3,4,5-Trifluoronitrobenzene | | Synonyms: | 1,2,3-TRIFLUORO-5-NITROBENZENE;3,4,5-TRIFLUORONITROBENZENE;1-NITRO-3,4,5-TRIFLUOROBENZENE;3,4,5-TRIFLUORO NITROBENZENE 99% MINIMUM;1,2,3-Trifluoro-5-nitrobenzene, 1-Nitro-3,4,5-trifluorobenzene;3,4,5-Trifluoronitro;5-Trifluoronitrobenzene;5-Nitro-1,2,3-trifluorobenzene | | CAS: | 66684-58-0 | | MF: | C6H2F3NO2 | | MW: | 177.08 | | EINECS: | 266-447-0 | | Product Categories: | Fluorobenzene;API intermediates;Miscellaneous;Benzenes;Fluorobenzene Series | | Mol File: | 66684-58-0.mol |  |
| | 3,4,5-Trifluoronitrobenzene Chemical Properties |
| Boiling point | 208.6±35.0 °C(Predicted) | | density | 1.517 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.486(lit.) | | Fp | 167 °F | | storage temp. | Sealed in dry,Room Temperature | | form | clear liquid | | color | Light yellow to Yellow to Orange | | BRN | 2455018 | | InChI | InChI=1S/C6H2F3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H | | InChIKey | PTTUMBGORBMNBN-UHFFFAOYSA-N | | SMILES | C1(F)=CC([N+]([O-])=O)=CC(F)=C1F | | CAS DataBase Reference | 66684-58-0(CAS DataBase Reference) |
| Hazard Codes | T,Xi | | Risk Statements | 25 | | Safety Statements | 45 | | RIDADR | UN 2810 6.1/PG 3 | | WGK Germany | 3 | | Hazard Note | Irritant | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29049090 |
| | 3,4,5-Trifluoronitrobenzene Usage And Synthesis |
| Chemical Properties | Colorless liquid | | Uses | 3,4,5-Trifluoronitrobenzene is a nitrobenzene derivative that has been shown to be stable in the environment. 3,4,5-Trifluoronitrobenzene has been detected in environmental samples and is considered to be a potential pollutant. This compound is not expected to bioaccumulate significantly due to its low water solubility. The liquid crystal properties of 3,4,5-trifluoronitrobenzene are also studied for potential application in display technologies. | | Synthesis | The general procedure for the synthesis of 3,4,5-trifluoronitrobenzene from 2,3,4-trifluoro-6-nitroaniline was as follows: a solution of tert-butyl nitrite (340 mL) in N,N-dimethylformamide (DMF, 150 mL) was slowly added to a stirred solution of DMF (1 L) containing 6-nitro-2,3,4-trifluoroaniline (500 g). The reaction was carried out at 45-75 °C for 3 h under argon protection. After keeping the same temperature and continuing stirring for 1 h, the reaction mixture was treated with 20% aqueous hydrochloric acid solution (2 L). After cooling, steam distillation of the resulting solution gave 3,4,5-trifluoronitrobenzene as a yellow liquid, which was separated from the distillate (289 g, 62% yield). The purity of the resulting product was about 90% by gas chromatography (GC) analysis.1H NMR (δ): 8.13-7.92 (m, 2H). | | References | [1] Patent: WO2004/37765, 2004, A1. Location in patent: Page 7; 8-9 |
| | 3,4,5-Trifluoronitrobenzene Preparation Products And Raw materials |
| Raw materials | 2,3,4-Trifluoro-6-nitroaniline-->N,N-Dimethylformamide-->Hydrochloric acid-->tert-Butyl nitrite-->3,4,5-Trifluoroaniline | | Preparation Products | 4-Amino-2,6-difluorophenol-->1,2,5-trifluoro-3-nitrobenzene-->2,6-Difluoro-4-nitrophenol-->Benzene, 1,3-difluoro-5-nitro-2-(phenylMethoxy)--->1-(2,6-difluoro-4-nitrophenyl)piperidin-4-one |
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