1736-72-7
| Name | 1-[4-(TRIFLUOROMETHYL)PHENYL]-2-THIOUREA |
| CAS | 1736-72-7 |
| Molecular Formula | C8H7F3N2S |
| MDL Number | MFCD00041189 |
| Molecular Weight | 220.21 |
| MOL File | 1736-72-7.mol |
Chemical Properties
| Melting point | 142-146 °C |
| Boiling point | 269.9±50.0 °C(Predicted) |
| density | 1.457±0.06 g/cm3(Predicted) |
| storage temp. | -20°C Freezer |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 12.33±0.70(Predicted) |
| color | Off-White to Pale Brown |
| BRN | 2695479 |
| InChI | 1S/C8H7F3N2S/c9-8(10,11)5-1-3-6(4-2-5)13-7(12)14/h1-4H,(H3,12,13,14) |
| InChIKey | OWTDDZMFRLUBQI-UHFFFAOYSA-N |
| SMILES | NC(=S)Nc1ccc(cc1)C(F)(F)F |
| CAS DataBase Reference | 1736-72-7(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 2811 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 2930909899 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 |