ChemSpider 2D Image | 8,11-Dichloro-5H-dibenzo[b,e][1,4]diazepine | C13H8Cl2N2

8,11-Dichloro-5H-dibenzo[b,e][1,4]diazepine

  • Molecular FormulaC13H8Cl2N2
  • Average mass263.122 Da
  • Monoisotopic mass262.006439 Da
  • ChemSpider ID21896669

More details:

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

5H-Dibenzo[b,e][1,4]diazepine, 8,11-dichloro- [ACD/Index Name]
8,11-Dichlor-5H-dibenzo[b,e][1,4]diazepin [German] [ACD/IUPAC Name]
8,11-Dichloro-5H-dibenzo[b,e][1,4]diazepine [ACD/IUPAC Name]
8,11-Dichloro-5H-dibenzo[b,e][1,4]diazépine [French] [ACD/IUPAC Name]
3,6-dichloro-5H-benzo[b][1,4]benzodiazepine
50373-22-3 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 428.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 212.7±31.5 °C
    Index of Refraction: 1.685
    Molar Refractivity: 70.1±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.93
    ACD/LogD (pH 5.5): 3.90
    ACD/BCF (pH 5.5): 542.24
    ACD/KOC (pH 5.5): 3153.11
    ACD/LogD (pH 7.4): 3.90
    ACD/BCF (pH 7.4): 542.24
    ACD/KOC (pH 7.4): 3153.12
    Polar Surface Area: 24 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 49.5±7.0 dyne/cm
    Molar Volume: 184.4±7.0 cm3

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