394-04-7
5-Fluoro-2-methoxybenzoic acid
CAS: 394-04-7
Molecular Formula: C8H7FO3
394-04-7 - Names and Identifiers
| Name | 5-Fluoro-2-methoxybenzoic acid |
| Synonyms | 394-04-7 QVR CF FO1 BUTTPARK 32 1-79 RARECHEM AL BO 1468 5-FLUORO-2-METHOXYBENZOIC 5-Fluoro-2-methoxybenzoic acid 5-FLUORO-2-METHOXYBENZOIC ACID 5-Fluoro-2-Methoxylbenzoic acid benzoic acid, 5-fluoro-2-methoxy- 5-Fluoro-o-anisic acid, 2-Carboxy-4-fluoroanisole |
| CAS | 394-04-7 |
| EINECS | 627-722-4 |
| InChI | InChI=1/C8H7FO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11) |
| InChIKey | WPXFJBPJUGMYOD-UHFFFAOYSA-N |
394-04-7 - Physico-chemical Properties
| Molecular Formula | C8H7FO3 |
| Molar Mass | 170.14 |
| Density | 1.307±0.06 g/cm3(Predicted) |
| Melting Point | 87-91 °C (lit.) |
| Boling Point | 294.0±20.0 °C(Predicted) |
| Flash Point | 131.6°C |
| Water Solubility | Insoluble in water. |
| Vapor Presure | 0.000757mmHg at 25°C |
| pKa | 3.75±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.524 |
| MDL | MFCD00671765 |
394-04-7 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| WGK Germany | 3 |
| Hazard Note | Irritant |
394-04-7 - Reference Information
| introduction | 5-fluoro-2-methoxybenzoic acid is a carboxylic acid derivative, which can be obtained by methylation of 5-fluorosalicylic acid and methyl iodide under the condition of potassium carbonate as a base. |
| use | 5-fluoro-2-methoxybenzoic acid is an organic intermediate. it has been reported in the literature that 5-fluoro-2-methoxybenzoic acid can be used as a sensitizer for preparing Pseudomonas aeruginosa inhibitors. |
| preparation | DMF40mL reaction system containing 5-fluorosalicylic acid (0.6g,4mmol), methyl iodide (2.4g,16mmol) and potassium carbonate (2.2g,16mmol) was sealed and reacted overnight at 100 ℃. The reaction system was cooled, quenched with saturated ammonium chloride solution and diluted with ethyl acetate. Organic phase dependent water washing, saturated salt water washing, anhydrous sodium sulfate drying, reduced pressure to evaporate the solvent to obtain the product 5-fluoro-2-methoxybenzoic acid (0.7g, yield 99%). |
Last Update：2024-04-09 20:49:11
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