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| | 4-Bromo-5-fluoro-2-nitrotoluene Basic information |
| | 4-Bromo-5-fluoro-2-nitrotoluene Chemical Properties |
| Melting point | 59-63°C | | Boiling point | 266.6±35.0 °C(Predicted) | | density | 1.696±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | form | solid | | color | Cream | | InChI | 1S/C7H5BrFNO2/c1-4-2-6(9)5(8)3-7(4)10(11)12/h2-3H,1H3 | | InChIKey | MTTNTJRJOFVWSY-UHFFFAOYSA-N | | SMILES | Cc1cc(F)c(Br)cc1[N+]([O-])=O | | CAS DataBase Reference | 224185-19-7(CAS DataBase Reference) |
| Hazard Codes | Xn,Xi | | Risk Statements | 22-36-36/37/38 | | Safety Statements | 26-36/37-36 | | WGK Germany | 3 | | Hazard Note | Irritant | | HS Code | 29049090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2 |
| | 4-Bromo-5-fluoro-2-nitrotoluene Usage And Synthesis |
| Chemical Properties | pale yellow powder | | Synthesis | 2-Fluoro-4-methyl-5-nitro-aniline (1.85 g, 10.90 mmol) was suspended in concentrated hydrobromic acid (22 ml_) and cooled to 0 ℃. Solution of sodium nitrite (0.83 g, 12.00 mmol) in water (3.6 ml_) was added dropwise while maintaining the temperature at 0-5 °C. After stirring for 15 min, the mixture was filtered through a cotton pad and slowly poured into a solution of cuprous oxide (2.60 g, 17.5 mmol) and concentrated hydrobromic acid (20 ml) at 0 °C. After stirring overnight, the reaction mixture was diluted with EtOAc, washed with 10 % aq NaOH and 5percent aq Na2S2Os successively, dried over MgSO4, filtered and concentrated. The residue was purified by column chromatography (ethyl acetate: hexane; 2:98) to afford 1-Bromo-2-fluoro-4- methyl-5-nitro-benzene as a colorless oil (2.30 g, 91 %).
| | References | [1] Patent: WO2003/99824, 2003, A1. Location in patent: Page 32
[2] Patent: WO2003/99275, 2003, A1. Location in patent: Page 65
[3] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 2, p. 457 - 460
[4] Patent: WO2015/54572, 2015, A1. Location in patent: Page/Page column 247
[5] Patent: US2004/224973, 2004, A1. Location in patent: Page 21 |
| | 4-Bromo-5-fluoro-2-nitrotoluene Preparation Products And Raw materials |
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