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| | 4-Fluoro-3-nitrobenzaldehyde Basic information |
| | 4-Fluoro-3-nitrobenzaldehyde Chemical Properties |
| Melting point | 45-47 °C (lit.) | | Boiling point | 286.0±25.0 °C(Predicted) | | density | 1.443±0.06 g/cm3(Predicted) | | Fp | >230 °F | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | Crystalline Powder | | color | White to tan | | Sensitive | Air Sensitive | | InChI | InChI=1S/C7H4FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H | | InChIKey | ILKWFRCNNILIJW-UHFFFAOYSA-N | | SMILES | C(=O)C1=CC=C(F)C([N+]([O-])=O)=C1 | | CAS DataBase Reference | 42564-51-2(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38-22 | | Safety Statements | 26-36/37/39-22 | | WGK Germany | 3 | | HS Code | 29130000 | | Storage Class | 13 - Non Combustible Solids |
| | 4-Fluoro-3-nitrobenzaldehyde Usage And Synthesis |
| Chemical Properties | White to tan crystalline powder | | Uses | 4-Fluoro-3-nitrobenzaldehyde is a biochemical reagent that can be used as a biological material or organic compound for life science related research. | | Synthesis | General procedure for the synthesis of 4-fluoro-3-nitrobenzaldehyde from 3-nitro-4-fluorobenzyl alcohol: a dimethyl sulfoxide (12 mL) suspension of the pyridine-sulfur trioxide complex (4.65 g, 29.2 mmol) was added to a solution containing 4-fluoro-3-nitrobenzyl alcohol (1.0 g, 5.84 mmol) and triethylamine (4.07 mL, 29.2 mmol) in a dichloromethane (20 mL) solution. The reaction mixture was stirred at room temperature for 15 minutes. After completion of the reaction, the reaction solution was diluted with ether (150 mL), washed sequentially with water, 5% potassium bisulfate solution and water, and the organic layer was dried with anhydrous magnesium sulfate. The solvent was removed by distillation under reduced pressure. The residue was purified by silica gel column chromatography [eluent: hexane-ethyl acetate (5:1)] to afford colorless crystalline 4-fluoro-3-nitrobenzaldehyde (0.86 g, 87% yield). The melting point of the product was 37-38 °C. 1H-NMR (CDCl3) δ: 7.51 (1H, t, J = 9.4 Hz), 8.10-8.30 (1H, m), 8.60 (1H, dd, J = 7.4, 2.2 Hz), 10.05 (1H, s). | | References | [1] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 23, p. 5546 - 5550
[2] Patent: US2003/78251, 2003, A1
[3] Patent: WO2015/57938, 2015, A1. Location in patent: Page/Page column 52
[4] Patent: CN107400092, 2017, A. Location in patent: Paragraph 0293; 0295; 0300-0302
[5] Patent: CN108264511, 2018, A. Location in patent: Paragraph 0280; 0283; 0288-0290 |
| | 4-Fluoro-3-nitrobenzaldehyde Preparation Products And Raw materials |
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