|
|
| | 1,4-DIFLUORO-2-METHYL-5-NITROBENZENE Basic information |
| Product Name: | 1,4-DIFLUORO-2-METHYL-5-NITROBENZENE | | Synonyms: | 1,4-DIFLUORO-2-METHYL-5-NITROBENZENE;2,5-Difluoro-4-methylnitrobenzene;2，5-Difluoro-4-nitrotoluene;2,5-Difluoro-4-methyinitrobenzene;2,5-Difluoro-4-methylnitrobenzene, 1,4-Difluoro-2-methyl-5-nitrobenzene;1,4-Difluoro-2-Methyl-5-nitrobenzene[2,5-difluoro-4-nitrotoluene];Benzene, 1,4-difluoro-2-methyl-5-nitro-;2-Difluoro-4-nitrotoluene | | CAS: | 141412-60-4 | | MF: | C7H5F2NO2 | | MW: | 173.12 | | EINECS: | | | Product Categories: | Halogen toluene | | Mol File: | 141412-60-4.mol |  |
| | 1,4-DIFLUORO-2-METHYL-5-NITROBENZENE Chemical Properties |
| Melting point | 25 °C | | Boiling point | 251 ºC | | density | 1.374 | | Fp | 121 ºC | | storage temp. | Sealed in dry,Room Temperature | | form | powder to lump to clear liquid | | color | White or Colorless to Yellow to Green | | CAS DataBase Reference | 141412-60-4(CAS DataBase Reference) |
| Hazard Codes | Xi | | HazardClass | IRRITANT | | HS Code | 2904990090 |
| | 1,4-DIFLUORO-2-METHYL-5-NITROBENZENE Usage And Synthesis |
| Synthesis Reference(s) | Journal of Medicinal Chemistry, 35, p. 2321, 1992 DOI: 10.1021/jm00090a024 | | Synthesis | General procedure for the synthesis of 2,5-difluoro-4-nitrotoluene from 2,5-difluorotoluene: To a stirred solution of 2,5-difluorotoluene (0.544 g, 4.25 mmol, Aldrich, for direct use) in concentrated sulfuric acid (5.0 mL) was added a single addition of potassium nitrate (KNO3, 0.430 g, 4.25 mmol) at 0 °C. The reaction mixture was gradually warmed to 28 °C and stirred at this temperature overnight. Upon completion of the reaction, the mixture was quenched by pouring into ice (25 g) and extracted with ethyl acetate (40 mL). The organic layers were combined, dried over anhydrous sodium sulfate (Na2SO4) and concentrated under reduced pressure to give 2,5-difluoro-4-nitrotoluene (0.555 g, 91% yield) as a light red oil. The product was characterized by 1H NMR (CDCl3): δ 2.369 (d, 3H, J = 1.8 Hz), 7.127 (dd, 1H, J1 = 8.1 Hz, J2 = 6.0 Hz), 7.734 (dd, 1H, J1 = 8.4 Hz, J2 = 6.3 Hz). | | References | [1] Journal of Medicinal Chemistry, 1992, vol. 35, # 12, p. 2321 - 2327
[2] Journal of Organic Chemistry, 1995, vol. 60, # 18, p. 5838 - 5842
[3] Patent: US5631373, 1997, A
[4] Patent: WO2008/119720, 2008, A1. Location in patent: Page/Page column 54 |
| | 1,4-DIFLUORO-2-METHYL-5-NITROBENZENE Preparation Products And Raw materials |
|