Difenoconazole
Category:
CAS:
Description:
Pestanal is a broad spectrum fungicide.
| CID | 86173 |
| Deprecated CAS | 1135441-03-0 |
| Synonyms | 1-[[2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole |
| IUPAC Name | 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole |
| Molecular Weight | 406.26 |
| Molecular Formula | C19H17Cl2N3O3 |
| Canonical SMILES | CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl |
| InChI | 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 |
| EC Number | 601-613-1 |
Producut details
| Grade | 95% TC |
| Toxicity | Difenoconazole is moderately toxic to humans, mammals, birds and most aquatic organisms. |
| Appearance | Off-White Solid |
| Melting Point | 78-80°C |
| Shelf Life | Limited shelf life, expiry date on the label |
Chemical and Physical Properties
| Purity | > 95% |
| Complexity | 495 |
| Exact Mass | 405.0646968 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Monoisotopic Mass | 405.0646968 |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.4 |
| XLogP3 | 4 |
QC Data
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