ChemSpider 2D Image | 2,4-Dinitro-6-(3,3,3-trifluoro-1-propyn-1-yl)aniline | C9H4F3N3O4

2,4-Dinitro-6-(3,3,3-trifluoro-1-propyn-1-yl)aniline

  • Molecular FormulaC9H4F3N3O4
  • Average mass275.141 Da
  • Monoisotopic mass275.015381 Da
  • ChemSpider ID89688475

More details:

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

2,4-Dinitro-6-(3,3,3-trifluor-1-propin-1-yl)anilin [German] [ACD/IUPAC Name]
2,4-Dinitro-6-(3,3,3-trifluoro-1-propyn-1-yl)aniline [ACD/IUPAC Name]
2,4-Dinitro-6-(3,3,3-trifluoro-1-propyn-1-yl)aniline [French] [ACD/IUPAC Name]
Benzenamine, 2,4-dinitro-6-(3,3,3-trifluoro-1-propyn-1-yl)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 363.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 173.8±27.9 °C
Index of Refraction: 1.576
Molar Refractivity: 54.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 193.42
ACD/KOC (pH 5.5): 1507.61
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 193.42
ACD/KOC (pH 7.4): 1507.61
Polar Surface Area: 118 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 165.4±5.0 cm3

Click to predict properties on the Chemicalize site


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