1H-1,2,4-Triazole-1-ethanol,b-[(2,4-dichlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (aR,bR)-rel- (75736-33-3)

The CAS register number of Diclobutrazol is 75736-33-3. It also can be called as (R*,R*)-(+-)-beta-[(2,4-Dichlorophenyl)methyl]-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol and the IUPAC name about this chemical is 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol. It belongs to the following product categories, such as Alpha sort, ConazolesPesticides&Metabolites, D, DAlphabetic, DIA - DIC, Fungicides, Pesticides and so on.

Physical properties about Diclobutrazol are: (1)ACD/LogP: 3.60; (2)ACD/LogD (pH 5.5): 3.6; (3)ACD/LogD (pH 7.4): 3.6; (4)ACD/BCF (pH 5.5): 321.03; (5)ACD/BCF (pH 7.4): 321.61; (6)ACD/KOC (pH 5.5): 2165.55; (7)ACD/KOC (pH 7.4): 2169.44; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 39.94Ų; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 86.67 cm³; (14)Molar Volume: 255.9 cm³; (15)Polarizability: 34.35x10^-24cm³; (16)Surface Tension: 42.4 dyne/cm; (17)Enthalpy of Vaporization: 78.95 kJ/mol; (18)Boiling Point: 484.3 °C at 760 mmHg; (19)Vapour Pressure: 3.44E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes and it is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, please avoid release to the environment. Refer to special instructions / safety data sheets. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(c(Cl)c1)CC(n2ncnc2)C(O)C(C)(C)C
(2)InChI: InChI=1/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3
(3)InChIKey: URDNHJIVMYZFRT-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3
(5)Std. InChIKey: URDNHJIVMYZFRT-UHFFFAOYSA-N

The toxicity data is as follows: