NSC 402
4-Fluorophenylacetic acid
CAS: 405-50-5
Molecular Formula: C8H7FO2
NSC 402 - Names and Identifiers
NSC 402 - Physico-chemical Properties
| Molecular Formula | C8H7FO2 |
| Molar Mass | 154.14 |
| Density | 1.1850 (estimate) |
| Melting Point | 81-83 °C (lit.) |
| Boling Point | 164°C (2.25 torr) |
| Flash Point | >100°C |
| Water Solubility | Insoluble in water. |
| Vapor Presure | 0.00461mmHg at 25°C |
| Appearance | White glossy crystalline or flaky |
| Color | White |
| Merck | 14,4177 |
| BRN | 972145 |
| pKa | pK1:4.25 (25°C) |
| Storage Condition | Sealed in dry,Room Temperature |
| MDL | MFCD00004343 |
| Physical and Chemical Properties | melting point 82-86°C boiling point 164°C (2.25 torr) |
| Use | Used as a pharmaceutical Intermediate |
NSC 402 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R38 - Irritating to the skin R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S27 - Take off immediately all contaminated clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| TSCA | T |
| HS Code | 29163900 |
| Hazard Class | IRRITANT |
NSC 402 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| application | 4-fluorophenylacetic acid is an intermediate in organic synthesis and a pharmaceutical intermediate, which can be used in laboratory research and development and chemical medicine research and development, and can play an irreplaceable role in the synthesis of pharmaceutical and electronic materials. |
| preparation | add 312ml of methanol, 0.55g of cobalt pyridine -2-carboxylate and 1.37g of palladium acetate into an autoclave reactor, stir for 5 minutes to dissolve the catalyst, replace the air in the reactor with CO for 3 times, raise the temperature to 180 ℃, and flush CO until the pressure rises to 1.5MPa. Within 1 hour, 57.8g(0.4mol) of p-chlorobenzyl fluoride and 160g(1.2mol) of 30% NaOH were added dropwise to the reaction kettle. After 5 hours of reaction, the temperature is reduced to room temperature, the methanol is removed by decompression distillation, the catalyst is filtered off, 30% hydrochloric acid is added to adjust the PH to 1, and the 4-fluorophenylacetic acid is obtained by filtration and drying with a purity of 99.40% and a yield of 84%. |
| use | as a pharmaceutical intermediate |
Last Update：2024-04-09 02:00:08
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