ChemSpider 2D Image | MFCD00005873 | C23H20Br2O5S

MFCD00005873

  • Molecular FormulaC23H20Br2O5S
  • Average mass568.275 Da
  • Monoisotopic mass565.939819 Da
  • ChemSpider ID369194

More details:

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

254-780-4 [EINECS]
3',3"-Dibromo-p-xylenolsulfonphthalein
3,3-bis(3-bromo-4-hydroxy-2,5-dimethylphenyl)-3H-2,1??-benzoxathiole-1,1-dione
4,4'-(1,1-Dioxido-3H-2,1-benzoxathiol-3,3-diyl)bis(2-brom-3,6-dimethylphenol) [German] [ACD/IUPAC Name]
4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-bromo-3,6-dimethylphenol) [ACD/IUPAC Name]
4,4'-(1,1-Dioxydo-3H-2,1-benzoxathiole-3,3-diyl)bis(2-bromo-3,6-diméthylphénol) [French] [ACD/IUPAC Name]
40070-59-5 [RN]
Bromoxylenol Blue
MFCD00005873
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3,6-dimethyl- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

369060 [DBID]
205478_ALDRICH [DBID]
NSC86166 [DBID]
ZINC03861479 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 605.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 320.1±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 126.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 6.37
ACD/BCF (pH 5.5): 39470.79
ACD/KOC (pH 5.5): 65585.34
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 1488.26
ACD/KOC (pH 7.4): 2472.91
Polar Surface Area: 92 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 337.3±3.0 cm3

Click to predict properties on the Chemicalize site


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