ChemSpider 2D Image | MFCD00142848 | C7H3D3N2O4

MFCD00142848

  • Molecular FormulaC7H3D3N2O4
  • Average mass185.152 Da
  • Monoisotopic mass185.051590 Da
  • ChemSpider ID17341542

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(2H3)Methyl-1,3-dinitrobenzene [ACD/IUPAC Name]
2-(2H3)Méthyl-1,3-dinitrobenzène [French] [ACD/IUPAC Name]
2-(2H3)Methyl-1,3-dinitrobenzol [German] [ACD/IUPAC Name]
2,6-Dinitrotoluene-(methyl-d3)
2,6-Dinitrotoluene-α,α,α-d3
2,6-Dinitrotoluene-α,α,α-D3
93951-90-7 [RN]
Benzene, 2-(methyl-d3)-1,3-dinitro- [ACD/Index Name]
Benzene, 2-(methyl-d3)-1,3-dinitro-
MFCD00142848
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

616478_ALDRICH [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 278.2±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 49.6±3.0 kJ/mol
Flash Point: 130.6±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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