ChemSpider 2D Image | 5-(Bromoethynyl)-4,7-dimethoxy-1,3-benzodioxole | C11H9BrO4

5-(Bromoethynyl)-4,7-dimethoxy-1,3-benzodioxole

  • Molecular FormulaC11H9BrO4
  • Average mass285.091 Da
  • Monoisotopic mass283.968414 Da
  • ChemSpider ID26460597

More details:

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

1,3-Benzodioxole, 5-(2-bromoethynyl)-4,7-dimethoxy- [ACD/Index Name]
5-(Bromethinyl)-4,7-dimethoxy-1,3-benzodioxol [German] [ACD/IUPAC Name]
5-(Bromoethynyl)-4,7-dimethoxy-1,3-benzodioxole [ACD/IUPAC Name]
5-(Bromoéthynyl)-4,7-diméthoxy-1,3-benzodioxole [French] [ACD/IUPAC Name]
1291486-45-7 [RN]
5-(2-bromoethynyl)-4,7-dimethoxy-2H-benzo[d]1,3-dioxolene
MFCD23703721

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

Density: 1.6±0.1 g/cm3
Boiling Point: 376.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.0±3.0 kJ/mol
Flash Point: 154.4±29.2 °C
Index of Refraction: 1.615
Molar Refractivity: 60.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 105.86
ACD/KOC (pH 5.5): 979.27
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 105.86
ACD/KOC (pH 7.4): 979.27
Polar Surface Area: 37 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 173.5±5.0 cm3

Click to predict properties on the Chemicalize site


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