ChemSpider 2D Image | 5-{[3,5-Bis(trifluoromethyl)phenoxy]methyl}-1-methyl-1H-1,2,4-triazole | C12H9F6N3O

5-{[3,5-Bis(trifluoromethyl)phenoxy]methyl}-1-methyl-1H-1,2,4-triazole

  • Molecular FormulaC12H9F6N3O
  • Average mass325.210 Da
  • Monoisotopic mass325.064972 Da
  • ChemSpider ID70764313

More details:

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

1H-1,2,4-Triazole, 5-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-1-methyl- [ACD/Index Name]
5-{[3,5-Bis(trifluormethyl)phenoxy]methyl}-1-methyl-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
5-{[3,5-Bis(trifluoromethyl)phenoxy]methyl}-1-methyl-1H-1,2,4-triazole [ACD/IUPAC Name]
5-{[3,5-Bis(trifluorométhyl)phénoxy]méthyl}-1-méthyl-1H-1,2,4-triazole [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 350.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 165.8±30.7 °C
Index of Refraction: 1.489
Molar Refractivity: 64.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 195.74
ACD/KOC (pH 5.5): 1519.76
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 196.08
ACD/KOC (pH 7.4): 1522.40
Polar Surface Area: 40 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 30.6±7.0 dyne/cm
Molar Volume: 222.8±7.0 cm3

Click to predict properties on the Chemicalize site


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