ChemSpider 2D Image | 3-(3-Nitrophenyl)-3-(trifluoromethyl)diaziridine | C8H6F3N3O2

3-(3-Nitrophenyl)-3-(trifluoromethyl)diaziridine

  • Molecular FormulaC8H6F3N3O2
  • Average mass233.147 Da
  • Monoisotopic mass233.041214 Da
  • ChemSpider ID26000645

More details:






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

3-(3-Nitrophenyl)-3-(trifluormethyl)diaziridin [German] [ACD/IUPAC Name]
3-(3-Nitrophenyl)-3-(trifluoromethyl)diaziridine [ACD/IUPAC Name]
3-(3-Nitrophényl)-3-(trifluorométhyl)diaziridine [French] [ACD/IUPAC Name]
Diaziridine, 3-(3-nitrophenyl)-3-(trifluoromethyl)- [ACD/Index Name]
629646-12-4 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 273.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.1±3.0 kJ/mol
Flash Point: 118.9±30.1 °C
Index of Refraction: 1.527
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 15.06
ACD/KOC (pH 5.5): 242.47
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 15.07
ACD/KOC (pH 7.4): 242.60
Polar Surface Area: 90 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 152.8±3.0 cm3

Click to predict properties on the Chemicalize site






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