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ChemSpider 2D Image | 2-Octyl-4,7-di(2-thienyl)-2H-benzotriazole | C22H25N3S2


  • Molecular FormulaC22H25N3S2
  • Average mass395.584 Da
  • Monoisotopic mass395.148987 Da
  • ChemSpider ID24785757

More details:

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

2H-1,2,3-Benzotriazole, 2-octyl-4,7-di-2-thienyl- [ACD/Index Name]
2-Octyl-4,7-di(2-thienyl)-2H-benzotriazol [German] [ACD/IUPAC Name]
2-Octyl-4,7-di(2-thienyl)-2H-benzotriazole [ACD/IUPAC Name]
2-Octyl-4,7-di(2-thiényl)-2H-benzotriazole [French] [ACD/IUPAC Name]
1254062-40-2 [RN]
2-Octyl-4,7-di (thiophen-2-yl)-2H-benzo[d][1,2,3]triazole

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

Density: 1.2±0.1 g/cm3
Boiling Point: 568.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.3±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 119.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 8.31
ACD/LogD (pH 5.5): 8.03
ACD/BCF (pH 5.5): 742046.19
ACD/KOC (pH 5.5): 554124.69
ACD/LogD (pH 7.4): 8.03
ACD/BCF (pH 7.4): 742144.00
ACD/KOC (pH 7.4): 554197.75
Polar Surface Area: 87 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 320.9±7.0 cm3

Click to predict properties on the Chemicalize site