ChemSpider 2D Image | N,N,2-Trinitroaniline | C6H4N4O6

N,N,2-Trinitroaniline

  • Molecular FormulaC6H4N4O6
  • Average mass228.119 Da
  • Monoisotopic mass228.013077 Da
  • ChemSpider ID29315285

More details:

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

Benzenamine, N,N,2-trinitro- [ACD/Index Name]
N,N,2-Trinitroanilin [German] [ACD/IUPAC Name]
N,N,2-Trinitroaniline [ACD/IUPAC Name]
N,N,2-Trinitroaniline [French] [ACD/IUPAC Name]
26952-42-1 [RN]
trinitroaniline [Wiki]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 431.6±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 214.9±29.3 °C
Index of Refraction: 1.681
Molar Refractivity: 49.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.23
ACD/KOC (pH 5.5): 80.50
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.23
ACD/KOC (pH 7.4): 80.50
Polar Surface Area: 141 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 86.8±3.0 dyne/cm
Molar Volume: 131.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement