111479-05-1
| Name | PROPAQUIZAFOP |
| CAS | 111479-05-1 |
| Molecular Formula | C22H22ClN3O5 |
| MDL Number | MFCD01697482 |
| Molecular Weight | 443.88 |
| MOL File | 111479-05-1.mol |
Chemical Properties
| Melting point | 62-64° |
| alpha | D20 +29.7° (c = 0.93% in chloroform) |
| Boiling point | 582.7±60.0 °C(Predicted) |
| density | d20 1.29 |
| refractive index | 1.6500 (estimate) |
| Fp | >100 °C |
| storage temp. | 0-6°C |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| form | neat |
| pka | -1.41±0.48(Predicted) |
| color | White |
| Water Solubility | 627ug/L(temperature not stated) |
| Merck | 13,7898 |
| Henry's Law Constant | 3.2×106 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Major Application | agriculture environmental |
| InChI | 1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1 |
| InChIKey | FROBCXTULYFHEJ-OAHLLOKOSA-N |
| SMILES | C[C@@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCCO\N=C(\C)C |
| LogP | 4.600 |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 3077 |
| WGK Germany | 2 |
| RTECS | UA2458258 |
| HazardClass | 9 |
| PackingGroup | III |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Skin Sens. 1B |
| Toxicity |