ChemSpider 2D Image | 6-Nitro-1,3-benzodioxole-4-carbaldehyde | C8H5NO5

6-Nitro-1,3-benzodioxole-4-carbaldehyde

  • Molecular FormulaC8H5NO5
  • Average mass195.129 Da
  • Monoisotopic mass195.016769 Da
  • ChemSpider ID21126102

More details:

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

1,3-Benzodioxole-4-carboxaldehyde, 6-nitro- [ACD/Index Name]
6-Nitro-1,3-benzodioxol-4-carbaldehyd [German] [ACD/IUPAC Name]
6-Nitro-1,3-benzodioxole-4-carbaldehyde [ACD/IUPAC Name]
6-Nitro-1,3-benzodioxole-4-carbaldéhyde [French] [ACD/IUPAC Name]
28310-14-7 [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: 345.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.9±3.0 kJ/mol
Flash Point: 181.5±29.9 °C
Index of Refraction: 1.658
Molar Refractivity: 45.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.48
ACD/KOC (pH 5.5): 146.99
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.48
ACD/KOC (pH 7.4): 146.99
Polar Surface Area: 81 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 73.3±3.0 dyne/cm
Molar Volume: 124.1±3.0 cm3

Click to predict properties on the Chemicalize site


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