Diniconazole
Category:
CAS:
Description:
Diniconazol is a chemical compound belonging to chlorine group of conazole. It is used as a fungicide. It inhibited lanosterol 14 alpha-demethylation catalyzed by a yeast cytochrome P-450 strongly.
| CID | 6436605 |
| Deprecated CAS | 101179-53-7, 76714-88-0 |
| Synonyms | (E)-(±)-β-[(2,4-Dichlorophenyl)methylene]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol; (E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol; (E)-β-[(2,4-Dichlorophenyl)methylene]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol; Mixor; Nb 2; Rac-diniconazole; S 3308; S 3308-10; S 3308L; Spotless; Sumi; Sumi 8; Sumi 8-020FS; Sumi 8-12.5WP; XE 779; 1H-1,2,4-Triazole-1-ethanol, β-[(2,4-dichlorophenyl)methylene]-α-(1,1-dimethylethyl)-, (βE)- |
| IUPAC Name | (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol |
| Molecular Weight | 326.22 |
| Molecular Formula | C15H17Cl2N3O |
| Canonical SMILES | CC(C)(C)C(C(=CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O |
| InChI | InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+ |
| InChIKey | FBOUIAKEJMZPQG-AWNIVKPZSA-N |
| Isomeric SMILES | CC(C)(C)C(/C(=C\C1=C(C=C(C=C1)Cl)Cl)/N2C=NC=N2)O |
| EC Number | 617-485-5 |
Producut details
| Formulation | 10%EC, 12.5%WP |
| Grade | 95%TC |
| Appearance | White to Off-white Solid |
| Boiling Point | 501.1±60.0°C at 760 mmHg |
| Melting Point | 148-149°C |
| Shelf Life | Limited shelf life, expiry date on the label |
Chemical and Physical Properties
| Purity | ≥95% |
| Density | 1.27±0.1 g/cm3 |
| Solubility | Soluble in DMSO (Slightly), Methanol (Sparingly) |
| Application | Pesticide |
| Storage | Store at -20°C |
| Complexity | 384 |
| Exact Mass | 325.0748676 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Monoisotopic Mass | 325.0748676 |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.9 |
| XLogP3 | 4.2 |
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