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Tetraconazole

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Name Tetraconazole EINECS 407-760-6
CAS No. 112281-77-3 Density 1.506 g/cm3
Solubility Melting Point
Formula C13H11Cl2F4N3O Boiling Point 438.435 °C at 760 mmHg
Molecular Weight 372.15 Flash Point 218.958 °C
Transport Information Appearance
Safety 36/37-41-61 Risk Codes 20/22-40-51/53
Molecular Structure Molecular Structure of 112281-77-3 (1H-1,2,4-Triazole,1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-) Hazard Symbols HarmfulXn,DangerousN
Synonyms

1H-1,2,4-Triazole,1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-, (?à)-;AG 4454;Domark;Eminent;Greman;M 14360;Tetraconazole;

 

Specification

The CAS register number of Tetraconazole is 112281-77-3. It also can be called as 2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether and the IUPAC name about this chemical is 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole. Classification code about this chemical is Herbicide.

Physical properties about Tetraconazole are: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): 3.19; (3)ACD/LogD (pH 7.4): 3.19; (4)ACD/BCF (pH 5.5): 155.46; (5)ACD/BCF (pH 7.4): 155.89; (6)ACD/KOC (pH 5.5): 1288.34; (7)ACD/KOC (pH 7.4): 1291.87; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 39.94Å2; (11)Index of Refraction: 1.543; (12)Molar Refractivity: 78.02 cm3; (13)Molar Volume: 247.1 cm3; (14)Polarizability: 30.93x10-24cm3; (15)Surface Tension: 37.7 dyne/cm; (16)Enthalpy of Vaporization: 69.52 kJ/mol; (17)Boiling Point: 438.4 °C at 760 mmHg; (18)Vapour Pressure: 6.91E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment and it is harmful by inhalation and if swallowed, it also limited evidence of a carcinogenic effect. When you are using it, wear suitable protective clothing and gloves. In addition, you need avoid release to the environment. Refer to special instructions / safety data sheets. In case of fire and / or explosion do not breathe fumes.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)C(F)(F)OCC(c1ccc(Cl)cc1Cl)Cn2ncnc2
(2)InChI: InChI=1/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2
(3)InChIKey: LQDARGUHUSPFNL-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2
(5)Std. InChIKey: LQDARGUHUSPFNL-UHFFFAOYSA-N

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