ChemSpider 2D Image | MFCD00013321 | C20H4Cl4I4O5

MFCD00013321

  • Molecular FormulaC20H4Cl4I4O5
  • Average mass973.673 Da
  • Monoisotopic mass971.499146 Da
  • ChemSpider ID62647

More details:






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

223-993-4 [EINECS]
4,5,6,7-Tetrachlor-3',6'-dihydroxy-2',4',5',7'-tetraiod-3H-spiro[2-benzofuran-1,9'-xanthen]-3-on [German] [ACD/IUPAC Name]
4,5,6,7-Tetrachloro-2′,4′,5′,7′-tetraiodofluorescein
4,5,6,7-Tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [ACD/IUPAC Name]
4,5,6,7-Tétrachloro-3',6'-dihydroxy-2',4',5',7'-tétraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [French] [ACD/IUPAC Name]
4,5,6,7-Tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
4159-77-7 [RN]
MFCD00013321
ROSE BENGAL LACTONE
Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BIU7Q7W2SH [DBID]
328960_ALDRICH [DBID]
UNII:BIU7Q7W2SH [DBID]
UNII-BIU7Q7W2SH [DBID]

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

Density: 3.0±0.1 g/cm3
Boiling Point: 741.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 402.4±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: 8.87
ACD/LogD (pH 5.5): 9.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1906030.75
ACD/LogD (pH 7.4): 8.42
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 473457.03
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






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