459-05-2
1-(4-fluorophenyl)-2-thiourea
CAS: 459-05-2
Molecular Formula: C7H7FN2S
459-05-2 - Names and Identifiers
| Name | 1-(4-fluorophenyl)-2-thiourea |
| Synonyms | AURORA 23199 AKOS BBS-00000721 LABOTEST-BB LT00454306 4-Fluorophenylthiourea 4-FLUOROPHENYLTHIOUREA N-(4-FLUOROPHENYL)THIOUREA 1-(4-fluorophenyl)thiourea 1-(4-fluorophenyl)-2-thiourea 1-(4-FLUOROPHENYL)-2-THIOUREA |
| CAS | 459-05-2 |
| EINECS | 625-867-8 |
| InChI | InChI=1/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11) |
459-05-2 - Physico-chemical Properties
| Molecular Formula | C7H7FN2S |
| Molar Mass | 170.21 |
| Density | 1.397±0.06 g/cm3(Predicted) |
| Melting Point | 163-167°C(lit.) |
| Boling Point | 264.2±42.0 °C(Predicted) |
| Flash Point | 113.6°C |
| Solubility | soluble in Methanol |
| Vapor Presure | 0.00987mmHg at 25°C |
| Appearance | powder to crystal |
| Color | White to Almost white |
| BRN | 2803645 |
| pKa | 13.04±0.70(Predicted) |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| Sensitive | Sensitive to air |
| Refractive Index | 1.692 |
| MDL | MFCD00041180 |
459-05-2 - Risk and Safety
| Risk Codes | R25 - Toxic if swallowed R36 - Irritating to the eyes |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | YU1400000 |
| HS Code | 29309090 |
| Hazard Note | Toxic |
| Hazard Class | 6.1 |
| Packing Group | II |
459-05-2 - Reference Information
| appearance | white to off-white crystalline powder |
| Preparation | 1-(4-fluorophenyl)-2-thiourea can be prepared by one-step reaction with ammonium thiocyanate and 4-fluoroaniline as starting materials. The preparation reaction formula is shown in the following figure: Figure 1 1-(4-fluorophenyl)-2-thiourea preparation reaction formula In a 50 m L reaction bottle equipped with an electromagnetic stirrer, ammonium thiocyanate, 4-fluoroaniline dichloromethane and PEG-400 are added, stirred for 1 hour at room temperature, and then 10 m L of water is added to dissolve the inorganic salt in the reaction mixture. Filtered to collect the precipitate, dried, and recrystallized with N,N-dimethylformamide-ethanol-water mixed solvent to obtain the product 1-(4-fluorophenyl)-2-thiourea. |
Last Update：2024-04-09 21:11:58
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