ChemSpider 2D Image | Bromoxylenol Blue | C23H20Br2O5S

Bromoxylenol Blue

  • Molecular FormulaC23H20Br2O5S
  • Average mass568.275 Da
  • Monoisotopic mass565.939819 Da
  • ChemSpider ID20100942

More details:

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

254-780-4 [EINECS]
4,4'-(1,1-Dioxido-3H-2,1-benzoxathiol-3,3-diyl)bis(3-brom-2,5-dimethylphenol) [German] [ACD/IUPAC Name]
4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(3-bromo-2,5-dimethylphenol) [ACD/IUPAC Name]
4,4'-(1,1-Dioxydo-3H-2,1-benzoxathiole-3,3-diyl)bis(3-bromo-2,5-diméthylphénol) [French] [ACD/IUPAC Name]
4,4'-(3h-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) s,s-dioxide
40070-59-5 [RN]
Bromoxylenol Blue
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[3-bromo-2,5-dimethyl- [ACD/Index Name]
PHENOL, 4,4'-(3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(3-BROMO-2,5-DIMETHYL-, S,S-DIOXIDE
4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[3-bromo-2,5-dimethylphenol] S,S-dioxide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 642.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 342.5±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: 7.16
ACD/LogD (pH 5.5): 6.86
ACD/BCF (pH 5.5): 95518.03
ACD/KOC (pH 5.5): 126919.13
ACD/LogD (pH 7.4): 6.33
ACD/BCF (pH 7.4): 28246.80
ACD/KOC (pH 7.4): 37532.80
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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