ChemSpider 2D Image | 2,3,6-Trinitroaniline | C6H4N4O6

2,3,6-Trinitroaniline

  • Molecular FormulaC6H4N4O6
  • Average mass228.119 Da
  • Monoisotopic mass228.013077 Da
  • ChemSpider ID62138676

More details:

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

2,3,6-Trinitroanilin [German] [ACD/IUPAC Name]
2,3,6-Trinitroaniline [ACD/IUPAC Name]
2,3,6-Trinitroaniline [French] [ACD/IUPAC Name]
Benzenamine, 2,3,6-trinitro- [ACD/Index Name]
238747-68-7 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 479.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 243.9±27.3 °C
Index of Refraction: 1.718
Molar Refractivity: 50.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.13
ACD/KOC (pH 5.5): 339.80
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.13
ACD/KOC (pH 7.4): 339.80
Polar Surface Area: 163 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 97.2±3.0 dyne/cm
Molar Volume: 127.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement