ChemSpider 2D Image | 3,4,5-Tribromo-2-(2,4-dibromophenoxy)phenol | C12H5Br5O2

3,4,5-Tribromo-2-(2,4-dibromophenoxy)phenol

  • Molecular FormulaC12H5Br5O2
  • Average mass580.687 Da
  • Monoisotopic mass575.620605 Da
  • ChemSpider ID10127210

More details:

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

3,4,5-Tribrom-2-(2,4-dibromphenoxy)phenol [German] [ACD/IUPAC Name]
3,4,5-Tribromo-2-(2,4-dibromophenoxy)phenol [ACD/IUPAC Name]
3,4,5-Tribromo-2-(2,4-dibromophénoxy)phénol [French] [ACD/IUPAC Name]
Phenol, 3,4,5-tribromo-2-(2,4-dibromophenoxy)- [ACD/Index Name]
24,28-didehydroaplysterol
3,4,5-tribromo-2-(2',4'-dibromophenoxy)phenol
35162-01-7 [RN]
6-hydroxy-2,2',3,4,4'-pentabromodiphenyl ether
CHEMBL464577
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL464577/
  • Miscellaneous

    • Chemical Class:

      An organobromine compound that is 3,4,5-tribromophenol substituted at position 2 by a 2,4-dibromophenoxy group. Isolated from the marine sponge <ital>Dysidea</ital>, it exhibits calcium channel modula tory activity. ChEBI CHEBI:68326
      An organobromine compound that is 3,4,5-tribromophenol substituted at position 2 by a 2,4-dibromophenoxy group. Isolated from the marine sponge Dysidea, it exhibits calcium channel modula; tory activi ty. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68326
      An organobromine compound that is 3,4,5-tribromophenol substituted at position 2 by a 2,4-dibromophenoxy group. Isolated from the marine sponge Dysidea, it exhibits calcium channel modulatory activity . ChEBI CHEBI:68326

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

Density: 2.4±0.1 g/cm3
Boiling Point: 444.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 222.5±28.7 °C
Index of Refraction: 1.705
Molar Refractivity: 93.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 8.07
ACD/LogD (pH 5.5): 7.29
ACD/BCF (pH 5.5): 196525.06
ACD/KOC (pH 5.5): 203949.50
ACD/LogD (pH 7.4): 6.17
ACD/BCF (pH 7.4): 14903.13
ACD/KOC (pH 7.4): 15466.14
Polar Surface Area: 29 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 239.4±3.0 cm3

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