ChemSpider 2D Image | MFCD00142828 | C7H3D3N2O4

MFCD00142828

  • Molecular FormulaC7H3D3N2O4
  • Average mass185.152 Da
  • Monoisotopic mass185.051590 Da
  • ChemSpider ID24532490
  • Non-standard isotope - Non-standard isotope


More details:






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

1-Methyl-2,4-dinitro(2H3)benzene [ACD/IUPAC Name]
1-Méthyl-2,4-dinitro(2H3)benzène [French] [ACD/IUPAC Name]
1-Methyl-2,4-dinitro(2H3)benzol [German] [ACD/IUPAC Name]
2,4-DINITROTOLUENE (RING-D3)
2,4-Dinitrotoluene-3,5,6-d3
93951-68-9 [RN]
Benzene-1,2,4-d3, 6-methyl-3,5-dinitro- [ACD/Index Name]
MFCD00142828
1-Methyl-2,4-dinitrobenzene [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 299.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.8±3.0 kJ/mol
Flash Point: 146.9±14.6 °C
Index of Refraction: 1.598
Molar Refractivity: 44.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.24
ACD/KOC (pH 5.5): 330.80
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 23.24
ACD/KOC (pH 7.4): 330.80
Polar Surface Area: 92 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 129.4±3.0 cm3

Click to predict properties on the Chemicalize site






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