ChemSpider 2D Image | 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(3-chlorophenol) | C19H12Cl2O5S

4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(3-chlorophenol)

  • Molecular FormulaC19H12Cl2O5S
  • Average mass423.267 Da
  • Monoisotopic mass421.978241 Da
  • ChemSpider ID57461048

More details:

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

4,4'-(1,1-Dioxido-3H-2,1-benzoxathiol-3,3-diyl)bis(3-chlorphenol) [German] [ACD/IUPAC Name]
4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(3-chlorophenol) [ACD/IUPAC Name]
4,4'-(1,1-Dioxydo-3H-2,1-benzoxathiole-3,3-diyl)bis(3-chlorophénol) [French] [ACD/IUPAC Name]
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[3-chloro- [ACD/Index Name]
3 3-DICHLOROPHENOLSULFONEPHTHALEIN
3,3-Bis(2-chloro-4-hydroxyphenyl)-2,1λ6-benzoxathiole-1,1(3H)-dione
38387-93-8 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 605.8±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: 320.2±31.5 °C
Index of Refraction: 1.701
Molar Refractivity: 102.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2293.52
ACD/KOC (pH 5.5): 8700.84
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 229.33
ACD/KOC (pH 7.4): 869.99
Polar Surface Area: 92 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 70.3±3.0 dyne/cm
Molar Volume: 263.7±3.0 cm3

Click to predict properties on the Chemicalize site


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