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| | 2-Chloro-4-fluoro-5-nitrophenol Basic information |
| | 2-Chloro-4-fluoro-5-nitrophenol Chemical Properties |
| Melting point | 105-108°C | | Boiling point | 298.7±40.0 °C(Predicted) | | density | 1.653±0.06 g/cm3(Predicted) | | storage temp. | Inert atmosphere,Room Temperature | | solubility | soluble in Methanol | | form | powder to crystal | | pka | 6.58±0.24(Predicted) | | color | Light orange to Yellow to Green | | InChI | InChI=1S/C6H3ClFNO3/c7-3-1-4(8)5(9(11)12)2-6(3)10/h1-2,10H | | InChIKey | NAWVMCKMQMJQMF-UHFFFAOYSA-N | | SMILES | C1(O)=CC([N+]([O-])=O)=C(F)C=C1Cl | | CAS DataBase Reference | 84478-75-1(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36/37/39 | | HazardClass | IRRITANT | | HS Code | 2908990000 |
| | 2-Chloro-4-fluoro-5-nitrophenol Usage And Synthesis |
| Synthesis | 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate (120 g, 0.48 mol) was mixed with sodium hydroxide (22.7 g, 0.57 mol) in water (300 mL) and the reaction was carried out at reflux for 4 hrs. Upon completion of the reaction, the insoluble solids were removed by filtration and the filtrate was acidified with dilute hydrochloric acid to pH < 7. Subsequently, the precipitated solid product was collected by filtration, washed with water and dried to afford 2-chloro-4-fluoro-5-nitrophenol (90 g, 98% yield). The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 11.18 (s, 1H), 8.10 (d, J=10.4 Hz, 1H), 7.62 (d, J=7.2 Hz, 1H); mass spectrum (ESI) m/z: 192.1 ([M+H]+). | | References | [1] Patent: US2008/90856, 2008, A1. Location in patent: Page/Page column 38
[2] Patent: WO2010/51373, 2010, A1. Location in patent: Page/Page column 75
[3] Patent: WO2013/36232, 2013, A2. Location in patent: Paragraph 00252
[4] Organic Process Research and Development, 2014, vol. 18, # 1, p. 122 - 134
[5] Patent: US2008/234267, 2008, A1. Location in patent: Page/Page column 15 |
| | 2-Chloro-4-fluoro-5-nitrophenol Preparation Products And Raw materials |
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