Difenoconazole-d6 (hydrochloride)

Difenoconazole-d6 is intended for use as an internal standard for the quantification of difenoconazole (Cay-24053) by GC- or LC-MS. Difenoconazole is a triazole fungicide. It is active against eight F. graminearum isolates (EC50s = 1.69-19.6 mg/L) and A. sonali, F. fulva, B. cinerea, and R. solani (EC50s = 0.131, 0.069, 0.297, and 0.252 mg/L, respectively). Difenoconazole is active against A. caricae (EC50 = 2 ppm) and reduces the number of leaf and fruit black spots, as well as decreases leaf drop, in papaya plants when applied thirteen times at a rate of 100 g/ha. It is lethal to water fleas (LC50 = 0.298 µg/ml) and zebrafish embryos, larvae, and adults (LC50s = 2.34, 1.17, and 1.45 mg/L, respectively). Difenoconazole induces pericardial and yolk sac edema in zebrafish embryos, body blackening and slowed heart rate in larvae, and decreased body weight and length in adults in a concentration-dependent manner. Formulations containing difenoconazole have been used as fungicides in agriculture, as well as in commercial, industrial, and residential areas.Formal Name: 1-((2-(2-chloro-4-(4-chlorophenoxy)phenyl)-4-(methyl-d3)-1,3-dioxolan-2-yl-4,5,5-d3)methyl)-1H-1,2,4-triazole, monohydrochloride. CAS Number: 2748435-81-4. Molecular Formula: C19H11D6Cl2N3O3 . HCl. Formula Weight: 448.8. Purity: >99% deuterated forms (d1-d6). Formulation: (Request formulation change), A solid. Solubility: Methanol: slightly soluble. SMILES: ClC1=CC=C(OC2=CC(Cl)=C(C3(CN4C=NC=N4)OC(C([2H])([2H])[2H])([2H])C([2H])([2H])O3)C=C2)C=C1.Cl. InChi Code: InChI=1S/C19H17Cl2N3O3.ClH/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,9-10H2,1H3,1H/i1D3,9D2,13D,. InChi Key: QTISUTWAEMTHNS-ZLTZPWCBSA-N.