| Identification | More | [Name]
1-(4-FLUOROPHENYL)-2-THIOUREA | [CAS]
459-05-2 | [Synonyms]
1-(4-FLUOROPHENYL)-2-THIOUREA
4-FLUOROPHENYLTHIOUREA
AKOS BBS-00000721
AURORA 23199
LABOTEST-BB LT00454306
N-(4-FLUOROPHENYL)THIOUREA
4-Fluorophenylthiourea,99%
(4-Fluorophenyl)thiourea 98%
(4-Fluorophenyl)thiourea98%
N-(4-CARBOXYPHENYL)GUANIDINE HCL | [EINECS(EC#)]
625-867-8 | [Molecular Formula]
C7H7FN2S | [MDL Number]
MFCD00041180 | [Molecular Weight]
170.21 | [MOL File]
459-05-2.mol |
| Questions And Answer | Back Directory | [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 | Back Directory | [Appearance]
white to off-white crystalline powder | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
T,Xi | [Risk Statements ]
R25:Toxic if swallowed.
R36:Irritating to the eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [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 |
|
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