ChemSpider 2D Image | 4-[(2,4-Dinitrophenyl)sulfanyl]-3-nitroaniline | C12H8N4O6S

4-[(2,4-Dinitrophenyl)sulfanyl]-3-nitroaniline

  • Molecular FormulaC12H8N4O6S
  • Average mass336.280 Da
  • Monoisotopic mass336.016449 Da
  • ChemSpider ID28672931

More details:

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

4-[(2,4-Dinitrophenyl)sulfanyl]-3-nitroanilin [German] [ACD/IUPAC Name]
4-[(2,4-Dinitrophenyl)sulfanyl]-3-nitroaniline [ACD/IUPAC Name]
4-[(2,4-Dinitrophényl)sulfanyl]-3-nitroaniline [French] [ACD/IUPAC Name]
Benzenamine, 4-[(2,4-dinitrophenyl)thio]-3-nitro- [ACD/Index Name]
112725-09-4 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 544.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.4±30.1 °C
Index of Refraction: 1.735
Molar Refractivity: 81.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.55
ACD/KOC (pH 5.5): 656.49
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.55
ACD/KOC (pH 7.4): 656.50
Polar Surface Area: 189 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 93.4±5.0 dyne/cm
Molar Volume: 202.3±5.0 cm3

Click to predict properties on the Chemicalize site


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