FENCHLORAZOL-ETHYL PESTANAL 250 MG

The IUPAC name of 1H-1,2,4-Triazole-3-carboxylicacid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)- is 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid. With the CAS registry number 103112-36-3, it is also named as Fenchlorazole. The product's classification codes are Agricultural Chemical; Unspecified / Unclassified pesticide. In addition, its molecular formula is C₁₀H₄Cl₅N₃O₂ and its molecular weight is 375.426.

The other characteristics of 1H-1,2,4-Triazole-3-carboxylicacid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)- can be summarized as: (1)ACD/LogP: 4.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 3.84; (6)ACD/BCF (pH 7.4): 1.05; (7)ACD/KOC (pH 5.5): 16.92; (8)ACD/KOC (pH 7.4): 4.65; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.01 Å²; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 78.83 cm³; (15)Molar Volume: 203.3 cm³; (16)Polarizability: 31.25×10^-24cm³; (17)Surface Tension: 63.9 dyne/cm; (18)Density: 1.84 g/cm³; (19)Flash Point: 261 °C; (20)Enthalpy of Vaporization: 81.94 kJ/mol; (21)Boiling Point: 507.9 °C at 760 mmHg; (22)Vapour Pressure: 3.86E-11 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: ClC(Cl)(Cl)c2nc(nn2c1c(Cl)cc(Cl)cc1)C(=O)O
(2)InChI: InChI=1/C10H4Cl5N3O2/c11-4-1-2-6(5(12)3-4)18-9(10(13,14)15)16-7(17-18)8(19)20/h1-3H,(H,19,20)
(3)InChIKey: HKELWJONQIFBPO-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H4Cl5N3O2/c11-4-1-2-6(5(12)3-4)18-9(10(13,14)15)16-7(17-18)8(19)20/h1-3H,(H,19,20)
(5)Std. InChIKey: HKELWJONQIFBPO-UHFFFAOYSA-N

The toxicity data is as follows: