ChemSpider 2D Image | 1-[Methoxy(~2~H_1_)methyl]-1H-benzotriazole | C8H8DN3O

1-[Methoxy(2H1)methyl]-1H-benzotriazole

  • Molecular FormulaC8H8DN3O
  • Average mass164.183 Da
  • Monoisotopic mass164.080841 Da
  • ChemSpider ID21422607
  • Non-standard isotope - Non-standard isotope


More details:






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

1-[Methoxy(2H1)methyl]-1H-benzotriazol [German] [ACD/IUPAC Name]
1-[Methoxy(2H1)methyl]-1H-benzotriazole [ACD/IUPAC Name]
1-[Méthoxy(2H1)méthyl]-1H-benzotriazole [French] [ACD/IUPAC Name]
1H-1,2,3-Benzotriazole, 1-(methoxymethyl-d)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 291.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.0±3.0 kJ/mol
Flash Point: 130.2±22.6 °C
Index of Refraction: 1.618
Molar Refractivity: 45.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.21
ACD/KOC (pH 5.5): 113.38
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.21
ACD/KOC (pH 7.4): 113.39
Polar Surface Area: 40 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 130.1±7.0 cm3

Click to predict properties on the Chemicalize site






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