ChemSpider 2D Image | 4,7-Dibromo-5,6-dinitro-2,1,3-benzothiadiazole | C6Br2N4O4S

4,7-Dibromo-5,6-dinitro-2,1,3-benzothiadiazole

  • Molecular FormulaC6Br2N4O4S
  • Average mass383.962 Da
  • Monoisotopic mass381.800690 Da
  • ChemSpider ID25939976

More details:

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

2,1,3-Benzothiadiazole, 4,7-dibromo-5,6-dinitro- [ACD/Index Name]
4,7-Dibrom-5,6-dinitro-2,1,3-benzothiadiazol [German] [ACD/IUPAC Name]
4,7-Dibromo-5,6-dinitro-2,1,3-benzothiadiazole [ACD/IUPAC Name]
4,7-Dibromo-5,6-dinitro-2,1,3-benzothiadiazole [French] [ACD/IUPAC Name]
4,7-Dibromo-5,6-dinitrobenzo[c][1,2,5]thiadiazole
76186-72-6 [RN]
BS-17530
MFCD12031108

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

    Density: 2.5±0.1 g/cm3
    Boiling Point: 418.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.6±3.0 kJ/mol
    Flash Point: 206.8±27.3 °C
    Index of Refraction: 1.811
    Molar Refractivity: 67.1±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.38
    ACD/LogD (pH 5.5): 2.95
    ACD/BCF (pH 5.5): 102.55
    ACD/KOC (pH 5.5): 957.27
    ACD/LogD (pH 7.4): 2.95
    ACD/BCF (pH 7.4): 102.55
    ACD/KOC (pH 7.4): 957.27
    Polar Surface Area: 146 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 102.2±3.0 dyne/cm
    Molar Volume: 155.5±3.0 cm3

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