QR CF D1
3-Fluoro-4-methylphenol
CAS: 452-78-8
Molecular Formula: C7H7FO
QR CF D1 - Names and Identifiers
| Name | 3-Fluoro-4-methylphenol |
| Synonyms | QR CF D1 452-78-8 QR CF D1 [WLN] 3-FLUORO-P-CRESOL 3-Fluoro-p-cresol 3-FLUORO-4-METHYLPHENOL 3-Fluoro-4-methylphenol 2-Fluoro-4-hydroxytoluene Phenol, 3-fluoro-4-methyl phenol, 3-fluoro-4-methyl- Phenol, 3-fluoro-4-methyl- 3-Fluoro-4-methylphenol, JRD, |
| CAS | 452-78-8 |
| EINECS | 200-110-4 |
| InChI | InChI=1/C7H7FO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3 |
QR CF D1 - Physico-chemical Properties
| Molecular Formula | C7H7FO |
| Molar Mass | 126.13 |
| Density | 1.17 |
| Melting Point | 72 °C |
| Boling Point | 196 °C |
| Flash Point | 29 °C |
| Vapor Presure | 0.32mmHg at 25°C |
| Appearance | Yellow solid |
| pKa | 9.27±0.18(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Sensitive | Sensitive to air |
| Refractive Index | 1.5150 |
| MDL | MFCD00143164 |
| Physical and Chemical Properties | Pale yellow oily liquid |
QR CF D1 - Risk and Safety
| Risk Codes | R21/22 - Harmful in contact with skin and if swallowed. R34 - Causes burns R52 - Harmful to aquatic organisms R36 - Irritating to the eyes R22 - Harmful if swallowed |
| 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. S60 - This material and its container must be disposed of as hazardous waste. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | 2922 |
| HS Code | 29081990 |
| Hazard Note | Irritant |
| Hazard Class | 8 |
QR CF D1 - Reference Information
| Application | 3-fluoro-4-methylphenol can be used as intermediates in organic synthesis and pharmaceutical intermediates, mainly used in laboratory research and development process and chemical production process. |
| preparation | 5-methoxy-2-methylaniline (5.0g,36mmol), A mixture of hydrochloric acid (7.6ml of 12M solution, 91mmol) and water (11ml) was heated at 60 °c for 15 minutes until complete dissolution. The reaction mixture was cooled to 0 °c and an aqueous solution of NaNO2(2.5g,36mmol) was added dropwise (internal temperature <7 °c). The reaction mixture was stirred at 0 °c for 30 minutes and a 0 °c solution of HBF4 (48% ml of a 1.2 solution, 40mmol) was carefully added. The reaction mixture was stirred at 0 °c for 20 minutes and the brown solid formed was filtered off and washed with ice water (3 x 10ml) and water (2 x 10ml). The solid was dried under high vacuum for 20 hours and then heated (air heat gun) until BF3 (white smoke) evolution ceased. The resulting brown oil was partitioned between ethyl acetate and water. The organic phase was dried (Na2SO4), concentrated under reduced pressure, and distilled with Kugelrohr tube distiller to give 3-fluoro-4-methylanisole (1.6g,31%), it is a colorless oil. To a solution of 3-fluoro-4-methylanisole (1.62g,11.6mmol) in CH2Cl2(10ml) at -70 °c was added dropwise BBr3(10ml, 12mmol). The reaction mixture was stirred at -70 °c for 10 minutes, then warmed to 0 °c and stirred at 0 °c for 2 hours. It was then warmed to room temperature, concentrated under reduced pressure and the residue partitioned between water and EtOAc. The organic phase was washed with water, dried over Na2SO4 and concentrated under reduced pressure to give 3-fluoro-4-methylphenol (1.1g,75%), as an oil. |
| Chemical properties | light yellow oily liquid |
Last Update：2024-04-09 19:05:05
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CAS: 452-78-8
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