
34123-59-6
| Name | Isoproturon |
| CAS | 34123-59-6 |
| EINECS(EC#) | 251-835-4 |
| Molecular Formula | C12H18N2O |
| MDL Number | MFCD00078684 |
| Molecular Weight | 206.28 |
| MOL File | 34123-59-6.mol |
Chemical Properties
| Melting point | 158° |
| Boiling point | 345.15°C (rough estimate) |
| density | 1.0310 (rough estimate) |
| refractive index | 1.4760 (estimate) |
| Fp | 100 °C |
| storage temp. | APPROX 4°C |
| form | neat |
| pka | 15.06±0.70(Predicted) |
| color | White to Almost white |
| Water Solubility | 60mg/L(20 ºC) |
| λmax | 240nm(H2O)(lit.) |
| Merck | 14,5218 |
| BRN | 2214033 |
| Henry's Law Constant | 8.8×104 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Major Application | agriculture cleaning products cosmetics environmental food and beverages personal care |
| InChI | 1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15) |
| InChIKey | PUIYMUZLKQOUOZ-UHFFFAOYSA-N |
| SMILES | CC(C)c1ccc(NC(=O)N(C)C)cc1 |
| LogP | 2.870 |
Safety Data
| Hazard Codes | Xi;N,N,Xi,Xn,F |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3077 |
| WGK Germany | 3 |
| RTECS | YT0170000 |
| HazardClass | 9 |
| PackingGroup | III |
| HS Code | 29242990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Carc. 2 Repr. 2 STOT RE 2 |
| Hazardous Substances Data | 34123-59-6(Hazardous Substances Data) |



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