ChemSpider 2D Image | iodophthalein | C20H10I4O4

iodophthalein

  • Molecular FormulaC20H10I4O4
  • Average mass821.909 Da
  • Monoisotopic mass821.675720 Da
  • ChemSpider ID61163

More details:

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

1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-3,5-diiodophenyl)- [ACD/Index Name]
206-857-9 [EINECS]
3,3-Bis(4-hydroxy-3,5-diiodophenyl)-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
3,3-Bis(4-hydroxy-3,5-diiodophényl)-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
3,3-Bis(4-hydroxy-3,5-diiodophenyl)isobenzofuran-1(3H)-one
3,3-Bis(4-hydroxy-3,5-diiodphenyl)-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
iodophthalein
Tetraiodophenolphthalein
′
,3′
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

R2CC46UA50 [DBID]
224987_ALDRICH [DBID]
BRN 0351654 [DBID]
NSC4904 [DBID]
UNII:R2CC46UA50 [DBID]
UNII-R2CC46UA50 [DBID]
UPCMLD-DP078:001 [DBID]

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

    Density: 2.6±0.1 g/cm3
    Boiling Point: 607.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.6±3.0 kJ/mol
    Flash Point: 321.2±31.5 °C
    Index of Refraction: 1.831
    Molar Refractivity: 139.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 2
    ACD/LogP: 6.39
    ACD/LogD (pH 5.5): 6.52
    ACD/BCF (pH 5.5): 51408.25
    ACD/KOC (pH 5.5): 79022.87
    ACD/LogD (pH 7.4): 4.98
    ACD/BCF (pH 7.4): 1479.83
    ACD/KOC (pH 7.4): 2274.74
    Polar Surface Area: 67 Å2
    Polarizability: 55.4±0.5 10-24cm3
    Surface Tension: 79.0±3.0 dyne/cm
    Molar Volume: 318.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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