Difenoconazole

The IUPAC name of Difenoconazole is 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole. With the CAS registry number 119446-68-3, it is also named as Dragon. The product's categories are Alpha Sort; Conazoles Pesticides & Metabolites; D; D Alphabetic; DID - DIN; Fungicides; Pesticides, and the other registry number is 1135441-03-0. Besides, it is colorless solid, which should be stored in sealed place at 0-6 °C. In addition, its molecular formula is C₁₉H₁₇Cl₂N₃O₃ and molecular weight is 406.27.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.92; (4)ACD/LogD (pH 7.4): 4.92; (5)ACD/BCF (pH 5.5): 3198.03; (6)ACD/BCF (pH 7.4): 3217.81; (7)ACD/KOC (pH 5.5): 11210.34; (8)ACD/KOC (pH 7.4): 11279.66; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.641; (13)Molar Refractivity: 103.69 cm³; (14)Molar Volume: 287.1 cm³; (15)Surface Tension: 50.3 dyne/cm; (16)Density: 1.41 g/cm³; (17)Flash Point: 284.6 °C; (18)Melting Point: 76 °C; (19)Water Solubility: 15 mg/L at 25 °C; (20)Enthalpy of Vaporization: 82.62 kJ/mol; (21)Boiling Point: 547 °C at 760 mmHg; (22)Vapour Pressure: 5.09E-12 mmHg at 25 °C.

Uses of Difenoconazole: this chemical is triazole fungicides. It is used as an demethylation inhibitor of sterol. It is also used for the treatment of foliage and seed.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. It is also risk of serious damage to the eyes. Moreover, it may cause sensitization by skin contact. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc4ccc(Oc1ccc(c(Cl)c1)C2(OCC(O2)C)Cn3ncnc3)cc4
(2)InChI: InChI=1/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
(3)InChIKey: BQYJATMQXGBDHF-UHFFFAOYAF

The toxicity data is as follows: