CAS No.112281-77-3,TETRACONAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	112281-77-3
Name:	TETRACONAZOLE
Article Data:	4

Formula:	C₁₃H₁₁Cl₂F₄N₃O
Molecular Weight:	372.149
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;
EINECS:	407-760-6
Density:	1.506 g/cm³
Melting Point:	6 °C
Boiling Point:	438.435 °C at 760 mmHg
Flash Point:	218.958 °C
Solubility:	156 mg l-1(pH 7,ZO °C)
Hazard Symbols:	Xn,N
Risk Codes:	20/22-40-51/53
Safety:	36/37-41-61
PSA:	39.94000
LogP:	4.24320

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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