ChemSpider 2D Image | pentabromo-tetrahydroxydiphenylmethane | C13H7Br5O4

pentabromo-tetrahydroxydiphenylmethane

  • Molecular FormulaC13H7Br5O4
  • Average mass626.712 Da
  • Monoisotopic mass621.626099 Da
  • ChemSpider ID10480691

More details:

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

1,2-Benzenediol, 3,4,6-tribromo-5-[(2,5-dibromo-3,4-dihydroxyphenyl)methyl]- [ACD/Index Name]
3,4,6-Tribrom-5-(2,5-dibrom-3,4-dihydroxybenzyl)-1,2-benzoldiol [German] [ACD/IUPAC Name]
3,4,6-Tribromo-5-(2,5-dibromo-3,4-dihydroxybenzyl)-1,2-benzenediol [ACD/IUPAC Name]
3,4,6-Tribromo-5-(2,5-dibromo-3,4-dihydroxybenzyl)-1,2-benzènediol [French] [ACD/IUPAC Name]
pentabromo-tetrahydroxydiphenylmethane
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL464987/

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

Density: 2.6±0.1 g/cm3
Boiling Point: 550.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 286.7±28.7 °C
Index of Refraction: 1.774
Molar Refractivity: 101.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 8.25
ACD/LogD (pH 5.5): 7.47
ACD/BCF (pH 5.5): 270118.19
ACD/KOC (pH 5.5): 260393.63
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 14200.50
ACD/KOC (pH 7.4): 13689.27
Polar Surface Area: 81 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 81.2±3.0 dyne/cm
Molar Volume: 243.5±3.0 cm3

Click to predict properties on the Chemicalize site


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