ChemSpider 2D Image | {1-[3,5-Bis(trifluoromethyl)benzyl]-1H-1,2,3-triazol-4-yl}methanol | C12H9F6N3O

{1-[3,5-Bis(trifluoromethyl)benzyl]-1H-1,2,3-triazol-4-yl}methanol

  • Molecular FormulaC12H9F6N3O
  • Average mass325.210 Da
  • Monoisotopic mass325.064972 Da
  • ChemSpider ID58880821

More details:

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

{1-[3,5-Bis(trifluormethyl)benzyl]-1H-1,2,3-triazol-4-yl}methanol [German] [ACD/IUPAC Name]
{1-[3,5-Bis(trifluoromethyl)benzyl]-1H-1,2,3-triazol-4-yl}methanol [ACD/IUPAC Name]
{1-[3,5-Bis(trifluorométhyl)benzyl]-1H-1,2,3-triazol-4-yl}méthanol [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-methanol, 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]- [ACD/Index 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: 353.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 167.3±30.7 °C
Index of Refraction: 1.508
Molar Refractivity: 64.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.28
ACD/KOC (pH 5.5): 418.47
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.28
ACD/KOC (pH 7.4): 418.47
Polar Surface Area: 51 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 34.1±7.0 dyne/cm
Molar Volume: 214.5±7.0 cm3

Click to predict properties on the Chemicalize site


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