ChemSpider 2D Image | 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(3,5-dibromophenol) | C19H10Br4O5S

4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(3,5-dibromophenol)

  • Molecular FormulaC19H10Br4O5S
  • Average mass669.961 Da
  • Monoisotopic mass665.698242 Da
  • ChemSpider ID106094

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(3,5-dibromphenol) [German] [ACD/IUPAC Name]
4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(3,5-dibromophenol) [ACD/IUPAC Name]
4,4'-(1,1-Dioxydo-3H-2,1-benzoxathiole-3,3-diyl)bis(3,5-dibromophénol) [French] [ACD/IUPAC Name]
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[3,5-dibromo- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 688.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 369.9±31.5 °C
Index of Refraction: 1.744
Molar Refractivity: 123.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 93289.43
ACD/KOC (pH 5.5): 104974.73
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 242.57
ACD/KOC (pH 7.4): 272.96
Polar Surface Area: 92 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 74.2±3.0 dyne/cm
Molar Volume: 304.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement