ChemSpider 2D Image | N,3,4-Trinitroaniline | C6H4N4O6

N,3,4-Trinitroaniline

  • Molecular FormulaC6H4N4O6
  • Average mass228.119 Da
  • Monoisotopic mass228.013077 Da
  • ChemSpider ID74019498

More details:

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

Benzenamine, N,3,4-trinitro- [ACD/Index Name]
N,3,4-Trinitroanilin [German] [ACD/IUPAC Name]
N,3,4-Trinitroaniline [ACD/IUPAC Name]
N,3,4-Trinitroaniline [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 445.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 223.3±31.5 °C
Index of Refraction: 1.710
Molar Refractivity: 50.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.87
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.71
Polar Surface Area: 149 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 89.1±3.0 dyne/cm
Molar Volume: 128.8±3.0 cm3

Click to predict properties on the Chemicalize site


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