2164-08-1
| Name | Lenacil |
| CAS | 2164-08-1 |
| EINECS(EC#) | 218-499-0 |
| Molecular Formula | C13H18N2O2 |
| MDL Number | MFCD00055395 |
| Molecular Weight | 234.29 |
| MOL File | 2164-08-1.mol |
Chemical Properties
| Melting point | 316-326°C |
| Boiling point | 376.62°C (rough estimate) |
| density | d20 1.32 kg/l |
| refractive index | 1.6450 (estimate) |
| storage temp. | 0-6°C |
| form | Solid |
| pka | 10.66±0.20(Predicted) |
| color | White to off-white |
| Water Solubility | 6mg/L(25 ºC) |
| Merck | 13,5455 |
| Henry's Law Constant | 1.3×105 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Major Application | agriculture environmental |
| InChI | 1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17) |
| InChIKey | ZTMKADLOSYKWCA-UHFFFAOYSA-N |
| SMILES | O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3 |
| LogP | 2.860 (est) |
| CAS DataBase Reference | 2164-08-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Lenacil(2164-08-1) |
| EPA Substance Registry System | 2164-08-1(EPA Substance) |
Safety Data
| Hazard Codes | N |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3077 |
| WGK Germany | WGK 2 |
| RTECS | GY5875000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Carc. 2 |
| Toxicity |