ChemSpider 2D Image | 4,4'-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)diphenol | C19H10Br4O5S

4,4'-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)diphenol

  • Molecular FormulaC19H10Br4O5S
  • Average mass669.961 Da
  • Monoisotopic mass665.698242 Da
  • ChemSpider ID491112

More details:

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

4,4'-(4,5,6,7-Tetrabrom-1,1-dioxido-3H-2,1-benzoxathiol-3,3-diyl)diphenol [German] [ACD/IUPAC Name]
4,4'-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)diphenol [ACD/IUPAC Name]
4,4'-(4,5,6,7-Tétrabromo-1,1-dioxydo-3H-2,1-benzoxathiole-3,3-diyl)diphénol [French] [ACD/IUPAC Name]
4,4'-(4,5,6,7-Tetrabromo-3H-2,1-benzoxathiol-3-ylidene)bisphenol S,S-dioxide
77172-72-6 [RN]
MFCD00009744 [MDL number]
Phenol, 4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis- [ACD/Index Name]
Phenol, 4,4'-(4,5,6,7-tetrabromo-3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide
[77172-72-6] [RN]
3,4,5,6-TETRABROMO PHENOL SULFONEPHTHALEIN
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 2.2±0.1 g/cm3
    Boiling Point: 696.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.6±3.0 kJ/mol
    Flash Point: 374.8±31.5 °C
    Index of Refraction: 1.744
    Molar Refractivity: 123.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 2
    ACD/LogP: 5.64
    ACD/LogD (pH 5.5): 6.05
    ACD/BCF (pH 5.5): 23259.20
    ACD/KOC (pH 5.5): 46416.74
    ACD/LogD (pH 7.4): 5.92
    ACD/BCF (pH 7.4): 17234.06
    ACD/KOC (pH 7.4): 34392.80
    Polar Surface Area: 92 Å2
    Polarizability: 48.9±0.5 10-24cm3
    Surface Tension: 74.2±3.0 dyne/cm
    Molar Volume: 304.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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