ChemSpider 2D Image | Ethyl 2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoate | C22H12Br4O5

Ethyl 2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoate

  • Molecular FormulaC22H12Br4O5
  • Average mass675.944 Da
  • Monoisotopic mass671.741821 Da
  • ChemSpider ID72869

More details:

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

2-(2,4,5,7-Tétrabromo-6-hydroxy-3-oxo-3H-xanthén-9-yl)benzoate d'éthyle [French] [ACD/IUPAC Name]
228-793-0 [EINECS]
6359-05-3 [RN]
Benzoic acid, 2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester [ACD/Index Name]
Ethyl 2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoate [ACD/IUPAC Name]
Ethyl-2-(2,4,5,7-tetrabrom-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2- (2,4,5, 7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester
C.I. Solvent Red 45
ETHYL 2-(2,4,5,7-TETRABROMO-3-HYDROXY-6-OXOXANTHEN-9-YL)BENZOATE
Ethyl eosine Y
More...

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

AIDS059720 [DBID]
AIDS-059720 [DBID]
NSC8670 [DBID]
ZINC04262043 [DBID]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 661.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 353.8±31.5 °C
Index of Refraction: 1.770
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.19
ACD/LogD (pH 5.5): 6.77
ACD/BCF (pH 5.5): 66566.98
ACD/KOC (pH 5.5): 76082.82
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 1501.52
ACD/KOC (pH 7.4): 1716.16
Polar Surface Area: 73 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 83.4±5.0 dyne/cm
Molar Volume: 309.0±5.0 cm3

Click to predict properties on the Chemicalize site


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