ChemSpider 2D Image | 1-(~2~H_3_)Methyl-1H-benzotriazole | C7H4D3N3

1-(2H3)Methyl-1H-benzotriazole

  • Molecular FormulaC7H4D3N3
  • Average mass136.169 Da
  • Monoisotopic mass136.082825 Da
  • ChemSpider ID77494120

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(2H3)Methyl-1H-benzotriazol [German] [ACD/IUPAC Name]
1-(2H3)Methyl-1H-benzotriazole [ACD/IUPAC Name]
1-(2H3)Méthyl-1H-benzotriazole [French] [ACD/IUPAC Name]
1H-1,2,3-Benzotriazole, 1-(methyl-d3)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 270.5±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.8±3.0 kJ/mol
Flash Point: 117.4±18.7 °C
Index of Refraction: 1.659
Molar Refractivity: 39.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.79
ACD/KOC (pH 5.5): 122.30
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.79
ACD/KOC (pH 7.4): 122.31
Polar Surface Area: 31 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 107.4±7.0 cm3

Click to predict properties on the Chemicalize site


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