ChemSpider 2D Image | 4,6-Dinitro-2-phenyl-1-benzothiophene | C14H8N2O4S

4,6-Dinitro-2-phenyl-1-benzothiophene

  • Molecular FormulaC14H8N2O4S
  • Average mass300.289 Da
  • Monoisotopic mass300.020477 Da
  • ChemSpider ID22751791

More details:

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

4,6-Dinitro-2-phenyl-1-benzothiophen [German] [ACD/IUPAC Name]
4,6-Dinitro-2-phenyl-1-benzothiophene [ACD/IUPAC Name]
4,6-Dinitro-2-phényl-1-benzothiophène [French] [ACD/IUPAC Name]
Benzo[b]thiophene, 4,6-dinitro-2-phenyl- [ACD/Index Name]
4,6-dinitro-2-phenylbenzo[b]thiophene
4,6-Dinitro-2-phenyl-benzo[b]thiophene

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

Density: 1.5±0.1 g/cm3
Boiling Point: 506.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 260.2±28.7 °C
Index of Refraction: 1.724
Molar Refractivity: 80.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1855.65
ACD/KOC (pH 5.5): 7606.54
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1855.65
ACD/KOC (pH 7.4): 7606.54
Polar Surface Area: 120 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 67.3±3.0 dyne/cm
Molar Volume: 202.0±3.0 cm3

Click to predict properties on the Chemicalize site


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