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| | 1-(4-Fluorophenyl)-2-thiourea Basic information | | Synthesis |
| Product Name: | 1-(4-Fluorophenyl)-2-thiourea | | Synonyms: | 4-FLUOROPHENYLTHIOUREA;AKOS BBS-00000721;LABOTEST-BB LT00454306;AURORA 23199;N-(4-FLUOROPHENYL)THIOUREA;4-Fluorophenylthiourea,99%;(4-Fluorophenyl)thiourea 98%;(4-Fluorophenyl)thiourea98% | | CAS: | 459-05-2 | | MF: | C7H7FN2S | | MW: | 170.21 | | EINECS: | 625-867-8 | | Product Categories: | Heterocycles | | Mol File: | 459-05-2.mol |  |
| | 1-(4-Fluorophenyl)-2-thiourea Chemical Properties |
| Melting point | 163-167 °C(lit.) | | Boiling point | 264.2±42.0 °C(Predicted) | | density | 1.397±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Inert atmosphere,Room temperature | | solubility | soluble in Methanol | | form | powder to crystal | | pka | 13.04±0.70(Predicted) | | color | White to Almost white | | BRN | 2803645 | | InChI | 1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11) | | InChIKey | BRWKXKNZRVALNZ-UHFFFAOYSA-N | | SMILES | NC(=S)Nc1ccc(F)cc1 | | CAS DataBase Reference | 459-05-2(CAS DataBase Reference) |
| Hazard Codes | T,Xi | | Risk Statements | 25-36 | | Safety Statements | 26-36 | | RIDADR | UN 2811 6.1/PG 3 | | WGK Germany | 3 | | RTECS | YU1400000 | | Hazard Note | Toxic | | HazardClass | 6.1 | | PackingGroup | II | | HS Code | 29309090 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Eye Irrit. 2 |
| | 1-(4-Fluorophenyl)-2-thiourea Usage And Synthesis |
| Synthesis | 1-(4-fluorophenyl)-2-thiourea can be prepared in a one-step reaction using ammonium thiocyanate and 4-fluoroaniline as starting materials. The reaction formula is shown in the figure below: 
Figure 1: Reaction formula for the preparation of 1-(4-fluorophenyl)-2-thiourea In a 50 mL reaction flask equipped with an electromagnetic stirrer, ammonium thiocyanate, 4-fluoroaniline dichloromethane, and PEG-400 were added. The mixture was stirred at room temperature for 1 hour, and then 10 mL of water was added to dissolve the inorganic salts in the reaction mixture. The precipitate was collected by filtration, dried, and recrystallized from it using a mixed solvent of N,N-dimethylformamide, ethanol, and water to give the product 1-(4-fluorophenyl)-2-thiourea. | | Chemical Properties | white to off-white crystalline powder | | Synthesis Reference(s) | Synthesis, p. 456, 1988 DOI: 10.1055/s-1988-27605 |
| | 1-(4-Fluorophenyl)-2-thiourea Preparation Products And Raw materials |
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