Propiconazole 98% supplier in China CAS NO.60207-90-1

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1. Introduction of Propiconazole

Propiconazole is a triazole fungicide, also known as a DMI, or demethylation inhibiting fungicide due to its binding with and inhibiting the 14-alpha demethylase enzyme from demethylating a precursor to ergosterol. Without this demethylation step, the ergosterols are not incorporated into the growing fungal cell membranes, and cellular growth is stopped. Propiconazole is used agriculturally on turfgrasses grown for seed and aesthetic or athletic value, mushrooms, corn, wild rice, peanuts, almonds, sorghum, oats, pecans, apricots, peaches, nectarines, plums and prunes. Propiconazole is a mixture of four stereoisomers and was first developed in 1979 by Janssen Pharmaceutica.

2. Properties of Propiconazole

ACD/LogP: 3.648 #ACD/LogD (pH 5.5): 3.65 ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 5.5): 346.84 ACD/BCF (pH 7.4): 348.69
ACD/KOC (pH 5.5): 2286.48 ACD/KOC (pH 7.4): 2298.65
#H bond acceptors: 5 #Freely Rotating Bonds: 5 Polar Surface Area: 49.17  2
Index of Refraction: 1.624 Molar Refractivity: 86.419 cm3
Molar Volume: 244.88 cm3 Polarizability: 34.259 10-24cm3
Surface Tension: 48.4749984741211 dyne/cm Density: 1.397 g/cm3
Flash Point: 244.065 °C Enthalpy of Vaporization: 74.435 kJ/mol
Boiling Point: 479.95 °C at 760 mmHg
 

3. Structure descriptors of Propiconazole

SMILES:Clc1ccc(c(Cl)c1)C2(OCC(O2)CCC)Cn3ncnc3

Std. InChI:InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3

Std. InChIKey:STJLVHWMYQXCPB-UHFFFAOYSA-N