ChemSpider 2D Image | 3,4,5-Tribromo-2-(2-bromophenoxy)phenol | C12H6Br4O2

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

  • Molecular FormulaC12H6Br4O2
  • Average mass501.791 Da
  • Monoisotopic mass497.710114 Da
  • ChemSpider ID8776895

More details:

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

3,4,5-Tribrom-2-(2-bromphenoxy)phenol [German] [ACD/IUPAC Name]
3,4,5-tribromo-2-(2'-bromophenoxy)phenol
3,4,5-Tribromo-2-(2-bromophenoxy)phenol [ACD/IUPAC Name]
3,4,5-Tribromo-2-(2-bromophénoxy)phénol [French] [ACD/IUPAC Name]
Phenol, 3,4,5-tribromo-2-(2-bromophenoxy)- [ACD/Index Name]
3,4,5-Tribromo-2-(2'-bromo-phenoxy)-phenol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463803/

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

Density: 2.2±0.1 g/cm3
Boiling Point: 409.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 201.5±28.7 °C
Index of Refraction: 1.690
Molar Refractivity: 85.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.21
ACD/LogD (pH 5.5): 6.72
ACD/BCF (pH 5.5): 73152.02
ACD/KOC (pH 5.5): 102246.80
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 7942.59
ACD/KOC (pH 7.4): 11101.59
Polar Surface Area: 29 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 223.2±3.0 cm3

Click to predict properties on the Chemicalize site


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