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| | 3-Fluoro-4-methylbenzonitrile Basic information |
| | 3-Fluoro-4-methylbenzonitrile Chemical Properties |
| Melting point | 47-51 °C | | Boiling point | 204°C | | density | 1.11±0.1 g/cm3(Predicted) | | Fp | 182 °F | | storage temp. | Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | form | powder to crystal | | color | White to Orange to Green | | BRN | 7700177 | | InChI | InChI=1S/C8H6FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3 | | InChIKey | KUQQONVKIURIQU-UHFFFAOYSA-N | | SMILES | C(#N)C1=CC=C(C)C(F)=C1 | | CAS DataBase Reference | 170572-49-3(CAS DataBase Reference) |
| Hazard Codes | Xi,T | | Risk Statements | 41 | | Safety Statements | 26-39 | | RIDADR | 3276 | | WGK Germany | 3 | | Hazard Note | Toxic | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29269090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Dam. 1 |
| | 3-Fluoro-4-methylbenzonitrile Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powder | | Uses | 3-Fluoro-4-methylbenzonitrile is a nitrile derivative that can be used as a pharmaceutical intermediate. | | Synthesis | General procedure for the synthesis of 3-fluoro-4-methylbenzonitrile from methyl 2-(4-cyano-2-fluorophenyl)acetate: 1.0 g of methyl 2-(4-cyano-2-fluorophenyl)acetate was added to a 50 mL four-necked flask, followed by the addition of 0.19 g of water, 1.15 g of 95% anhydrous calcium chloride and 15 g of N,N-dimethylacetamide. The mixture was stirred and heated to 140°C to 145°C and the reaction was carried out for 20 to 24 hours (the progress of the reaction was monitored by HPLC to ensure >99% conversion). Upon completion of the reaction, the mixture was cooled to 60°C to 70°C and subsequently concentrated under reduced pressure. Finally, the product was purified by column chromatography to afford 0.62 g of 3-fluoro-4-methylbenzonitrile as a light yellow solid in 89.0% yield. | | References | [1] Patent: CN107673994, 2018, A. Location in patent: Paragraph 0063; 0064; 0065 |
| | 3-Fluoro-4-methylbenzonitrile Preparation Products And Raw materials |
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