ChemSpider 2D Image | MFCD01075478 | C6H2D4N2O2

MFCD01075478

  • Molecular FormulaC6H2D4N2O2
  • Average mass142.149 Da
  • Monoisotopic mass142.068039 Da
  • ChemSpider ID24532777
  • Non-standard isotope - Non-standard isotope


More details:






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

115044-52-5 [RN]
3-Nitro(2H4)anilin [German] [ACD/IUPAC Name]
3-Nitro(2H4)aniline [ACD/IUPAC Name]
3-Nitro(2H4)aniline [French] [ACD/IUPAC Name]
3-Nitroaniline-2,4,5,6-d4
Benzen-2,3,4,6-d4-amine, 5-nitro- [ACD/Index Name]
MFCD01075478
2,3,4,6-tetradeuterio-5-nitroaniline
3-NITRO(²H?)ANILINE
3-Nitrobenzeneamine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 307.0±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.8±3.0 kJ/mol
Flash Point: 139.5±20.4 °C
Index of Refraction: 1.634
Molar Refractivity: 37.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.62
ACD/KOC (pH 5.5): 134.57
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.62
ACD/KOC (pH 7.4): 134.69
Polar Surface Area: 72 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 103.6±3.0 cm3

Click to predict properties on the Chemicalize site






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