ChemSpider 2D Image | 2,4-Bis[(~2~H_3_)methyl]-1-nitrobenzene | C8H3D6NO2

2,4-Bis[(2H3)methyl]-1-nitrobenzene

  • Molecular FormulaC8H3D6NO2
  • Average mass157.199 Da
  • Monoisotopic mass157.100983 Da
  • ChemSpider ID28295651

  • Non-standard isotope - Non-standard isotope

More details:

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

2,4-Bis[(2H3)methyl]-1-nitrobenzene [ACD/IUPAC Name]
2,4-Bis[(2H3)méthyl]-1-nitrobenzène [French] [ACD/IUPAC Name]
2,4-Bis[(2H3)methyl]-1-nitrobenzol [German] [ACD/IUPAC Name]
Benzene, 2,4-di(methyl-d3)-1-nitro- [ACD/Index Name]
1,3-dimethyl-4-nitrobenzene
1398065-58-1 [RN]
2,4-Dimethyl-d6-nitrobenzene
4-Nitro-m-xylene

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

Density: 1.1±0.1 g/cm3
Boiling Point: 244.1±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.2±3.0 kJ/mol
Flash Point: 107.2±0.0 °C
Index of Refraction: 1.547
Molar Refractivity: 42.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.21
ACD/KOC (pH 5.5): 974.99
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.21
ACD/KOC (pH 7.4): 974.99
Polar Surface Area: 46 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 133.8±3.0 cm3

Click to predict properties on the Chemicalize site


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