Difenoconazole
- Product NameDifenoconazole
- CAS119446-68-3
- MFC19H17Cl2N3O3
- MW406.26
- EINECS
- MOL File119446-68-3.mol
Chemical Properties
| Melting point | 76°C |
| Boiling point | 220°C |
| Density | 1.4916 (rough estimate) |
| vapor pressure | 3.3 x l0-8 Pa (25 °C) |
| refractive index | 1.6140 (estimate) |
| storage temp. | Keep in dark place,Sealed in dry,2-8°C |
| solubility | Chloroform: Slightly Soluble,Methanol: Slightly Soluble |
| form | Solid |
| pka | 2.94±0.12(Predicted) |
| color | White to off-white |
| Water Solubility | 3.3 mg/L (20 ºC) |
| Merck | 13,3160 |
| BRN | 9073356 |
| Henry's Law Constant | 1.1×106 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Major Application | agriculture environmental |
| InChI | 1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3 |
| InChIKey | BQYJATMQXGBDHF-UHFFFAOYSA-N |
| SMILES | CC1COC(Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl |
Safety Information
| Hazard Codes | Xn,N |
| Risk Statements | 22-41-43-50-20/22 |
| Safety Statements | 26-36/37/39-61 |
| RIDADR | UN 3077 9 / PGIII |
| WGK Germany | 3 |
| RTECS | XZ4380000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 Eye Irrit. 2 |
| Hazardous Substances Data | 119446-68-3(Hazardous Substances Data) |
| Toxicity | LD50 in rats (mg/kg): 1453 orally; in rabbits: >2010 dermally (Ruess) |