ChemSpider 2D Image | 1-Methyl-2-nitro(~2~H_4_)benzene | C7H3D4NO2

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

  • Molecular FormulaC7H3D4NO2
  • Average mass141.161 Da
  • Monoisotopic mass141.072784 Da
  • ChemSpider ID25196739

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Methyl-2-nitro(2H4)benzene [ACD/IUPAC Name]
1-Méthyl-2-nitro(2H4)benzène [French] [ACD/IUPAC Name]
1-Methyl-2-nitro(2H4)benzol [German] [ACD/IUPAC Name]
Benzene-1,2,3,4-d4, 5-methyl-6-nitro- [ACD/Index Name]
115049-76-8 [RN]
1-Methyl-2-nitrobenzene [ACD/IUPAC Name]
2-Nitrotoluene-3,4,5,6-d4
o-nitrotoluene

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

Density: 1.2±0.1 g/cm3
Boiling Point: 222.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.0±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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