ChemSpider 2D Image | N-Methyl-3-(methylsulfonyl)-2-nitroaniline | C8H10N2O4S

N-Methyl-3-(methylsulfonyl)-2-nitroaniline

  • Molecular FormulaC8H10N2O4S
  • Average mass230.241 Da
  • Monoisotopic mass230.036133 Da
  • ChemSpider ID21134450

More details:

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

Benzenamine, N-methyl-3-(methylsulfonyl)-2-nitro- [ACD/Index Name]
N-Methyl-3-(methylsulfonyl)-2-nitroanilin [German] [ACD/IUPAC Name]
N-Methyl-3-(methylsulfonyl)-2-nitroaniline [ACD/IUPAC Name]
N-Méthyl-3-(méthylsulfonyl)-2-nitroaniline [French] [ACD/IUPAC Name]
3-(Methanesulfonyl)-N-methyl-2-nitroaniline
651044-34-7 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 473.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 239.9±28.7 °C
Index of Refraction: 1.586
Molar Refractivity: 54.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.46
ACD/KOC (pH 5.5): 101.51
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.46
ACD/KOC (pH 7.4): 101.51
Polar Surface Area: 100 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 162.5±3.0 cm3

Click to predict properties on the Chemicalize site


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