ChemSpider 2D Image | Bromosulfophthalein | C20H10Br4O10S2

Bromosulfophthalein

  • Molecular FormulaC20H10Br4O10S2
  • Average mass794.033 Da
  • Monoisotopic mass789.644836 Da
  • ChemSpider ID5152

More details:






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

206-047-5 [EINECS]
297-83-6 [RN]
3,3'-(4,5,6,7-Tetrabrom-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzolsulfonsäure) [German] [ACD/IUPAC Name]
3,3'-(4,5,6,7-Tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis(6-hydroxybenzenesulfonic acid)
3,3'-(4,5,6,7-Tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonic acid) [ACD/IUPAC Name]
Acide 3,3'-(4,5,6,7-tétrabromo-3-oxo-1,3-dihydro-2-benzofurane-1,1-diyl)bis(6-hydroxybenzènesulfonique) [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 3,3'-(4,5,6,7-tetrabromo-1,3-dihydro-3-oxo-1-isobenzofuranylidene)bis[6-hydroxy- [ACD/Index Name]
Bromosulfophthalein
Sulfobromophthalein
2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfo-phenyl)-3-keto-isobenzofuran-1-yl]benzenesulfonic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

0C2P5QKL36 [DBID]
CHEBI:63836 [DBID]
C11363 [DBID]
UNII:0C2P5QKL36 [DBID]
UNII-0C2P5QKL36 [DBID]
  • Miscellaneous
    • Chemical Class:

      An organosulfonic acid that consists of phthalide bearing four bromo substituents at positions 4, 5, 6 and 7 as well as two 4-hydroxy-3-sulfophenyl groups both located at position 1. ChEBI CHEBI:63836
    • Therapeutical Effect:

      Coloring Agents,Indicators and Reagents Sean Ekins

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.760
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.35
ACD/LogD (pH 5.5): -1.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 89.7±3.0 dyne/cm
Molar Volume: 340.0±3.0 cm3

Click to predict properties on the Chemicalize site






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