Basic information
- Name:
1H-1,2,4-Triazole,1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-
- Superlist Name:
- Epoxiconazole
- CAS No.:
135319-73-2
- Molecular Structure:
![Molecular Structure of 135319-73-2 (1H-1,2,4-Triazole,1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-)](http://www.lookchem.com/300w/2010/0625/135319-73-2.jpg)
- Formula:
- C17H13ClFN3O
- Molecular Weight:
- 329.76
- Synonyms:
- 1H-1,2,4-Triazole,1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]- (9CI);(2RS,3SR)-1-[3-(2-chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl]-1H-1,2,4-triazole;1-{[3-(2-Chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl}-1H-1,2,4-triazole;1H-1,2,4-Triazole, 1-((3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-, cis-(±)-;
- Density:
- 1.39 g/cm3
- Boiling Point:
- 463.1 °C at 760 mmHg
- Flash Point:
- 233.9 °C
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Specification
The 1H-1,2,4-Triazole,1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, with the CAS registry number 135319-73-2, has the systematic name of 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole. And the molecular formula of this chemical is C17H13C1FN3O.
The physical properties of 1H-1,2,4-Triazole,1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]- are as following: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 243.3; (6)ACD/BCF (pH 7.4): 244.14; (7)ACD/KOC (pH 5.5): 1774.92; (8)ACD/KOC (pH 7.4): 1781.05; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.24 Å2; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 87.15 cm3; (15)Molar Volume: 236.4 cm3; (16)Polarizability: 34.55×10-24cm3; (17)Surface Tension: 49.8 dyne/cm; (18)Density: 1.39 g/cm3; (19)Flash Point: 233.9 °C; (20)Enthalpy of Vaporization: 72.43 kJ/mol; (21)Boiling Point: 463.1 °C at 760 mmHg; (22)Vapour Pressure: 9.35E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C3(OC3c2ccccc2Cl)Cn4ncnc4
(2)InChI: InChI=1/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2
(3)InChIKey: ZMYFCFLJBGAQRS-UHFFFAOYAQ
