ChemSpider 2D Image | 4-(2,2,2-Trifluoroethyl)-4H-1,2,4-triazole-3-carbaldehyde | C5H4F3N3O

4-(2,2,2-Trifluoroethyl)-4H-1,2,4-triazole-3-carbaldehyde

  • Molecular FormulaC5H4F3N3O
  • Average mass179.100 Da
  • Monoisotopic mass179.030640 Da
  • ChemSpider ID45713242

More details:

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

4-(2,2,2-Trifluorethyl)-4H-1,2,4-triazol-3-carbaldehyd [German] [ACD/IUPAC Name]
4-(2,2,2-Trifluoroethyl)-4H-1,2,4-triazole-3-carbaldehyde [ACD/IUPAC Name]
4-(2,2,2-Trifluoroéthyl)-4H-1,2,4-triazole-3-carbaldéhyde [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-carboxaldehyde, 4-(2,2,2-trifluoroethyl)- [ACD/Index Name]
1545723-96-3 [RN]
MFCD28626340

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

Density: 1.5±0.1 g/cm3
Boiling Point: 247.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.5±3.0 kJ/mol
Flash Point: 103.7±30.1 °C
Index of Refraction: 1.499
Molar Refractivity: 34.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.33
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.33
Polar Surface Area: 48 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 37.5±7.0 dyne/cm
Molar Volume: 116.1±7.0 cm3

Click to predict properties on the Chemicalize site


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