ChemSpider 2D Image | 2,2',4,4',5-Pentabromodiphenyl ether | C12H5Br5O

2,2',4,4',5-Pentabromodiphenyl ether

  • Molecular FormulaC12H5Br5O
  • Average mass564.688 Da
  • Monoisotopic mass559.625671 Da
  • ChemSpider ID33255

More details:

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

2,2',4,4',5-Pentabromodiphenyl ether
2,2′,4,4′,5-Pentabromodiphenyl ether
1,2,4-Tribrom-5-(2,4-dibromphenoxy)benzol [German] [ACD/IUPAC Name]
1,2,4-Tribromo-5-(2,4-dibromophenoxy)benzene [ACD/IUPAC Name]
1,2,4-Tribromo-5-(2,4-dibromophénoxy)benzène [French] [ACD/IUPAC Name]
2,2',4,4',5-Pentabromobiphenyl Ether
2,2′,4,4′,5-PentaBDE
2,4-Dibromophenyl 2,4,5-tribromophenyl ether
251-084-2 [EINECS]
32534-81-9 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

33676_RIEDEL [DBID]
CCRIS 4851 [DBID]
DE 71 [DBID]
HSDB 7109 [DBID]
NCGC00091436-01 [DBID]
NCGC00091436-02 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.3±0.1 g/cm3
Boiling Point: 434.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 180.0±27.2 °C
Index of Refraction: 1.681
Molar Refractivity: 91.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 167400.52
ACD/KOC (pH 5.5): 190871.77
ACD/LogD (pH 7.4): 7.18
ACD/BCF (pH 7.4): 167400.52
ACD/KOC (pH 7.4): 190871.77
Polar Surface Area: 9 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 240.9±3.0 cm3

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