ChemSpider 2D Image | 2',4',5',7'-Tetrabromofluorescein | C20H8Br4O5

2',4',5',7'-Tetrabromofluorescein

  • Molecular FormulaC20H8Br4O5
  • Average mass647.891 Da
  • Monoisotopic mass643.710510 Da
  • ChemSpider ID10581

More details:

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

152-75-0 [RN]
2-(2,4,5,7-Tetrabrom-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoesäure [German] [ACD/IUPAC Name]
2-(2,4,5,7-Tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid [ACD/IUPAC Name]
2',4',5',7'-Tetrabromofluorescein
Acide 2-(2,4,5,7-tétrabromo-6-hydroxy-3-oxo-3H-xanthén-9-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)- [ACD/Index Name]
15086-94-9 [RN]
17372-87-1 [RN]
2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid
2-(2,4,5,7-TETRABROMO-3-HYDROXY-6-OXOXANTHEN-9-YL)BENZOIC ACID
More...

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

11445 Red [DBID]
11731 Red [DBID]
1903 Yellow Pink [DBID]
AIDS014990 [DBID]
AIDS-014990 [DBID]
C.I. 45380:2 [DBID]
CBDivE_002995 [DBID]
NSC2087 [DBID]
Phlox Red Toner X-1354 [DBID]
Phloxine Red 20-7600 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A xanthene dye that is fluorescein bearing bromine substituents at positions 2', 4', 5' and 7'. ChEBI CHEBI:86277

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

Density: 2.4±0.1 g/cm3
Boiling Point: 682.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 366.5±31.5 °C
Index of Refraction: 1.842
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 491.43
ACD/KOC (pH 5.5): 705.33
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 5.95
ACD/KOC (pH 7.4): 8.54
Polar Surface Area: 84 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 101.3±5.0 dyne/cm
Molar Volume: 268.0±5.0 cm3

Click to predict properties on the Chemicalize site


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