ChemSpider 2D Image | 3,3',5,5'-Tetrabromo-4,4'-biphenyldiol | C12H6Br4O2

3,3',5,5'-Tetrabromo-4,4'-biphenyldiol

  • Molecular FormulaC12H6Br4O2
  • Average mass501.791 Da
  • Monoisotopic mass497.710114 Da
  • ChemSpider ID2346432

More details:

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

[1,1'-Biphenyl]-4,4'-diol, 3,3',5,5'-tetrabromo- [ACD/Index Name]
3,3',5,5'-Tetrabrom-4,4'-biphenyldiol [German] [ACD/IUPAC Name]
3,3',5,5'-Tetrabromo-4,4'-biphenyldiol [ACD/IUPAC Name]
3,3',5,5'-Tétrabromo-4,4'-biphényldiol [French] [ACD/IUPAC Name]
3,5,3',5'-Tetrabromo-biphenyl-4,4'-diol
2,6-dibromo-4-(3,5-dibromo-4-hydroxyphenyl)phenol
4463-79-0 [RN]
58781-88-7 [RN]
p-Biphenyldiol, tetrabromo-
Tetrabromo-p-biphenyldiol

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

BAS 00093738 [DBID]
ZINC03181434 [DBID]

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

    Density: 2.3±0.1 g/cm3
    Boiling Point: 369.7±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.1±3.0 kJ/mol
    Flash Point: 177.4±26.5 °C
    Index of Refraction: 1.719
    Molar Refractivity: 85.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 2
    ACD/LogP: 5.91
    ACD/LogD (pH 5.5): 5.58
    ACD/BCF (pH 5.5): 9687.11
    ACD/KOC (pH 5.5): 23104.98
    ACD/LogD (pH 7.4): 3.74
    ACD/BCF (pH 7.4): 140.70
    ACD/KOC (pH 7.4): 335.58
    Polar Surface Area: 40 Å2
    Polarizability: 33.8±0.5 10-24cm3
    Surface Tension: 64.3±3.0 dyne/cm
    Molar Volume: 216.3±3.0 cm3

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