ChemSpider 2D Image | 4,5,6,7-Tetrachloro-2',7'-dihydroxy-1',3',6',8'-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one | C20H4Cl4I4O5

4,5,6,7-Tetrachloro-2',7'-dihydroxy-1',3',6',8'-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

  • Molecular FormulaC20H4Cl4I4O5
  • Average mass973.673 Da
  • Monoisotopic mass971.499146 Da
  • ChemSpider ID70205

More details:






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

4,5,6,7-Tetrachlor-2',7'-dihydroxy-1',3',6',8'-tetraiod-3H-spiro[2-benzofuran-1,9'-xanthen]-3-on [German] [ACD/IUPAC Name]
4,5,6,7-Tetrachloro-2',7'-dihydroxy-1',3',6',8'-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [ACD/IUPAC Name]
4,5,6,7-Tétrachloro-2',7'-dihydroxy-1',3',6',8'-tétraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [French] [ACD/IUPAC Name]
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-2',7'-dihydroxy-1',3',6',8'-tetraiodo- [ACD/Index Name]
127695-05-0 [RN]
518-38-7 [RN]
5301-65-5 [RN]
Rose bengal B

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

Density: 3.0±0.1 g/cm3
Boiling Point: 739.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 400.8±32.9 °C
Index of Refraction: 1.956
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 8.41
ACD/LogD (pH 5.5): 8.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1106948.63
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 25768.15
ACD/KOC (pH 7.4): 13155.12
Polar Surface Area: 76 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 119.4±5.0 dyne/cm
Molar Volume: 327.9±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement