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]
4-NITROTOLUENE-D7
84344-19-4 [RN]

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

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

Click to predict properties on the Chemicalize site


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