ChemSpider 2D Image | 4-Methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one | C12H9F6N3O

4-Methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC12H9F6N3O
  • Average mass325.210 Da
  • Monoisotopic mass325.064972 Da
  • ChemSpider ID39367318

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
4-Methyl-5-(trifluormethyl)-2-[4-(trifluormethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
4-Methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
4-Méthyl-5-(trifluorométhyl)-2-[4-(trifluorométhyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
4-methyl-3-(trifluoromethyl)-1-(4-(trifluoromethyl)benzyl)-1H-1,2,4-triazol-5(4H)-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 272.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.1±3.0 kJ/mol
Flash Point: 118.6±30.1 °C
Index of Refraction: 1.501
Molar Refractivity: 64.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.90
ACD/KOC (pH 5.5): 512.99
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.90
ACD/KOC (pH 7.4): 512.99
Polar Surface Area: 36 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 32.6±7.0 dyne/cm
Molar Volume: 219.7±7.0 cm3

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