Hexaconazole

The Hexaconazole with the cas number 79983-71-4, is also called (1)(RS)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol ; (2)Anvil ; (3)Anvil (fungicide) ; (4)Anvil L ; (5)Anvil Liquid ; (6)Chlortriafol ; (7)Contaf ; (8)Contaf 5EC ; (9)Hexaconazole ; (10)Hexaconazole [BSI:ISO] ; (11)Sitara ; (12)TDP ; (13)alpha-Butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-; (14)ethanol (+-)- ; (15)1H-1,2,4-Triazole-1-ethanol, alpha-butyl-alpha-(2,4-; (16)dichlorophenyl)- ; (17) 1H-1,2,4-Triazole-1-ethanol, alpha-butyl-alpha-(2,4-; (18)dichlorophenyl)-, (+-)- and so on. Hexaconazole belongs to the following product categories: fungicide and pesticide. It should be stored at 0-6°C for preserve.

Properties of Hexaconazole:(1)H bond acceptors: 4 ; (2)H bond donors: 1 ; (3)Freely Rotating Bonds: 7 ; (4)Polar Surface Area: 39.94 Å² ; (5)Index of Refraction: 1.597 ; (6)Molar Refractivity: 82.43 cm³ ; (7)Molar Volume: 241.6 cm³ ; (8)Polarizability: 32.67 10-24cm³ ; (9)Surface Tension: 46.1 dyne/cm ; (10) Density: 1.3 g/cm³ ; (11)Flash Point: 250.3 °C ; (12)Enthalpy of Vaporization: 79.7 kJ/mol ; (13)Boiling Point: 490.3 °C at 760 mmHg ; (14)Vapour Pressure: 1.99E-10 mmHg at 25°C

When you are using this chemical,  please be cautious about it as the following:
Firstly, Hexaconazole is Harmful if swallowed, please Keep out of the reach of children from such harm. Secondly, it is quite toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Hence, avoid release to the environment, refering to special instructions / safety data sheets. Tirdly, because, it may cause sensitization by skin contact, avoid contact with skin.

You can still convert the following datas into molecular structure :
1. SMILES: Clc1ccc(c(Cl)c1)C(O)(CCCC)Cn2ncnc2
2. InChI: InChI=1/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3

Hexaconazole toxic data can be showed in the following sheet.