ChemSpider 2D Image | 1,3-Dinitro-2-[(4-nitrophenyl)sulfanyl]benzene | C12H7N3O6S

1,3-Dinitro-2-[(4-nitrophenyl)sulfanyl]benzene

  • Molecular FormulaC12H7N3O6S
  • Average mass321.266 Da
  • Monoisotopic mass321.005554 Da
  • ChemSpider ID28709737

More details:

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

1,3-Dinitro-2-[(4-nitrophenyl)sulfanyl]benzene [ACD/IUPAC Name]
1,3-Dinitro-2-[(4-nitrophényl)sulfanyl]benzène [French] [ACD/IUPAC Name]
1,3-Dinitro-2-[(4-nitrophenyl)sulfanyl]benzol [German] [ACD/IUPAC Name]
Benzene, 1,3-dinitro-2-[(4-nitrophenyl)thio]- [ACD/Index Name]
92568-44-0 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 459.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 231.9±28.7 °C
Index of Refraction: 1.707
Molar Refractivity: 77.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 290.09
ACD/KOC (pH 5.5): 2015.04
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 290.09
ACD/KOC (pH 7.4): 2015.04
Polar Surface Area: 163 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 82.9±5.0 dyne/cm
Molar Volume: 199.2±5.0 cm3

Click to predict properties on the Chemicalize site


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