ChemSpider 2D Image | 2-Methyl-1,5-dinitro-3-(trifluoromethyl)benzene | C8H5F3N2O4

2-Methyl-1,5-dinitro-3-(trifluoromethyl)benzene

  • Molecular FormulaC8H5F3N2O4
  • Average mass250.132 Da
  • Monoisotopic mass250.020142 Da
  • ChemSpider ID30782805

More details:

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

2-Methyl-1,5-dinitro-3-(trifluormethyl)benzol [German] [ACD/IUPAC Name]
2-Methyl-1,5-dinitro-3-(trifluoromethyl)benzene [ACD/IUPAC Name]
2-Méthyl-1,5-dinitro-3-(trifluorométhyl)benzène [French] [ACD/IUPAC Name]
Benzene, 2-methyl-1,5-dinitro-3-(trifluoromethyl)- [ACD/Index Name]
[1400644-23-6] [RN]
1400644-23-6 [RN]
3 5-dinitro-2-methylbenzotrifluoride
3,5-Dinitro-2-methylbenzotrifluoride
AN-3267
MFCD22421484

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 268.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.6±3.0 kJ/mol
    Flash Point: 116.0±25.9 °C
    Index of Refraction: 1.515
    Molar Refractivity: 49.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.85
    ACD/LogD (pH 5.5): 2.92
    ACD/BCF (pH 5.5): 97.43
    ACD/KOC (pH 5.5): 922.83
    ACD/LogD (pH 7.4): 2.92
    ACD/BCF (pH 7.4): 97.43
    ACD/KOC (pH 7.4): 922.83
    Polar Surface Area: 92 Å2
    Polarizability: 19.5±0.5 10-24cm3
    Surface Tension: 41.4±3.0 dyne/cm
    Molar Volume: 162.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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