ChemSpider 2D Image | 1-(~2~H_3_)Methyl-4-nitro(~2~H_4_)benzene | C7D7NO2

1-(2H3)Methyl-4-nitro(2H4)benzene

  • Molecular FormulaC7D7NO2
  • Average mass144.179 Da
  • Monoisotopic mass144.091614 Da
  • ChemSpider ID23936911

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(2H3)Methyl-4-nitro(2H4)benzene [ACD/IUPAC Name]
1-(2H3)Méthyl-4-nitro(2H4)benzène [French] [ACD/IUPAC Name]
1-(2H3)Methyl-4-nitro(2H4)benzol [German] [ACD/IUPAC Name]
Benzene-1,2,4,5-d4, 3-(methyl-d3)-6-nitro- [ACD/Index Name]
1-(²H?)methyl-4-nitro(²H?)benzene
1,2,4,5-tetradeuterio-3-nitro-6-(trideuteriomethyl)benzene
1-Methyl-4-nitrobenzene [ACD/IUPAC Name]
4-NITROTOLUENE-D7
84344-19-4 [RN]
MFCD09841104

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 238.0±0.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 45.6±3.0 kJ/mol
    Flash Point: 106.1±0.0 °C
    Index of Refraction: 1.553
    Molar Refractivity: 37.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.41
    ACD/LogD (pH 5.5): 2.45
    ACD/BCF (pH 5.5): 42.53
    ACD/KOC (pH 5.5): 509.89
    ACD/LogD (pH 7.4): 2.45
    ACD/BCF (pH 7.4): 42.53
    ACD/KOC (pH 7.4): 509.89
    Polar Surface Area: 46 Å2
    Polarizability: 14.9±0.5 10-24cm3
    Surface Tension: 42.7±3.0 dyne/cm
    Molar Volume: 117.6±3.0 cm3

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