ChemSpider 2D Image | rose bengal (photoactivated) | C20H4Cl4I4O5

rose bengal (photoactivated)

  • Molecular FormulaC20H4Cl4I4O5
  • Average mass973.673 Da
  • Monoisotopic mass971.499146 Da
  • ChemSpider ID23774

More details:

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

2,3,4,5-Tetrachlor-6-(6-hydroxy-2,4,5,7-tetraiod-3-oxo-3H-xanthen-9-yl)benzoesäure [German] [ACD/IUPAC Name]
2,3,4,5-Tetrachloro-6-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)benzoic acid [ACD/IUPAC Name]
Acide 2,3,4,5-tétrachloro-6-(6-hydroxy-2,4,5,7-tétraiodo-3-oxo-3H-xanthén-9-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2,3,4,5-tetrachloro-6-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)- [ACD/Index Name]
rose bengal (photoactivated)
11121-48-5 [RN]
2,3,4,5-tetrachloro-6-(3-hydroxy-2,4,5,7-tetraiodo-6-oxoxanthen-9-yl)benzoic acid
2,3,4,5-tetrachloro-6-{6-hydroxy-2,4,5,7-tetrakis[(131i)iodo]-3-oxo-3h-xanthen-9-yl}benzoic acid
24545-87-7 [RN]

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

AIDS006076 [DBID]
AIDS-006076 [DBID]
C.I. 45440 [DBID]
C.I.45440 [DBID]
NSC10463 [DBID]
NSC270091 [DBID]
NSC45732 [DBID]
  • Miscellaneous
    • Chemical Class:

      A xanthene dye that is fluorescein bearing bromine substituents at positions 2', 4', 5' and 7' (on the xanthene ring) and iodine substituents at position 2, 3, 4, and 5 (on the phenyl ring). The dipot assium salt is the biological stain 'rose bengal'. ChEBI CHEBI:87202

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

Density: 2.9±0.1 g/cm3
Boiling Point: 757.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 412.1±32.9 °C
Index of Refraction: 1.917
Molar Refractivity: 159.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 9.58
ACD/LogD (pH 5.5): 5.79
ACD/BCF (pH 5.5): 2128.50
ACD/KOC (pH 5.5): 851.06
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 502.10
ACD/KOC (pH 7.4): 200.76
Polar Surface Area: 84 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 108.9±5.0 dyne/cm
Molar Volume: 337.6±5.0 cm3

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