ChemSpider 2D Image | 3-(3-Nitrophenyl)-3-(trifluoromethyl)-3H-diazirene | C8H4F3N3O2

3-(3-Nitrophenyl)-3-(trifluoromethyl)-3H-diazirene

  • Molecular FormulaC8H4F3N3O2
  • Average mass231.132 Da
  • Monoisotopic mass231.025558 Da
  • ChemSpider ID26000646

More details:






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

3-(3-Nitrophenyl)-3-(trifluormethyl)-3H-diaziren [German] [ACD/IUPAC Name]
3-(3-Nitrophenyl)-3-(trifluoromethyl)-3H-diazirene [ACD/IUPAC Name]
3-(3-Nitrophényl)-3-(trifluorométhyl)-3H-diazirène [French] [ACD/IUPAC Name]
3H-Diazirine, 3-(3-nitrophenyl)-3-(trifluoromethyl)- [ACD/Index Name]
3-(3-Nitrophenyl)-3-(trifluoromethyl)-3H-diazirine
3-(3-nitrophenyl)-3-(trifluoromethyl)diazirine
629646-13-5 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 263.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.1±3.0 kJ/mol
Flash Point: 113.1±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 46.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 111.06
ACD/KOC (pH 5.5): 1013.50
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 111.06
ACD/KOC (pH 7.4): 1013.50
Polar Surface Area: 71 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 138.6±7.0 cm3

Click to predict properties on the Chemicalize site






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