ChemSpider 2D Image | RCL L132012 | C19H12Br2O5S

RCL L132012

  • Molecular FormulaC19H12Br2O5S
  • Average mass512.169 Da
  • Monoisotopic mass509.877197 Da
  • ChemSpider ID68541

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

220-538-1 [EINECS]
2800-80-8 [RN]
3,3-bis(3-bromo-4-hydroxyphenyl)-3H-2,1??-benzoxathiole-1,1-dione
4,4'-(1,1-Dioxido-3H-2,1-benzoxathiol-3,3-diyl)bis(2-bromphenol) [German] [ACD/IUPAC Name]
4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-bromophenol) [ACD/IUPAC Name]
4,4'-(1,1-Dioxydo-3H-2,1-benzoxathiole-3,3-diyl)bis(2-bromophénol) [French] [ACD/IUPAC Name]
Bromophenol Red
MFCD00023014
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo- [ACD/Index Name]
RCL L132012
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

B3385_SIGMA [DBID]

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 586.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.9±3.0 kJ/mol
    Flash Point: 308.7±30.1 °C
    Index of Refraction: 1.723
    Molar Refractivity: 107.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 5.00
    ACD/LogD (pH 5.5): 4.55
    ACD/BCF (pH 5.5): 1573.75
    ACD/KOC (pH 5.5): 6196.47
    ACD/LogD (pH 7.4): 2.47
    ACD/BCF (pH 7.4): 13.03
    ACD/KOC (pH 7.4): 51.30
    Polar Surface Area: 92 Å2
    Polarizability: 42.7±0.5 10-24cm3
    Surface Tension: 72.0±3.0 dyne/cm
    Molar Volume: 272.2±3.0 cm3

    Click to predict properties on the Chemicalize site






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