ChemSpider 2D Image | 2,2',3,3',4,5,5',6,6'-Nonabromodiphenyl ether | C12HBr9O

2,2',3,3',4,5,5',6,6'-Nonabromodiphenyl ether

  • Molecular FormulaC12HBr9O
  • Average mass880.272 Da
  • Monoisotopic mass871.267700 Da
  • ChemSpider ID28592503

More details:






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

1,2,3,4,5-Pentabrom-6-(2,3,5,6-tetrabromphenoxy)benzol [German] [ACD/IUPAC Name]
1,2,3,4,5-Pentabromo-6-(2,3,5,6-tetrabromophenoxy)benzene [ACD/IUPAC Name]
1,2,3,4,5-Pentabromo-6-(2,3,5,6-tétrabromophénoxy)benzène [French] [ACD/IUPAC Name]
2,2',3,3',4,5,5',6,6'-Nonabromodiphenyl ether
437701-78-5 [RN]
Benzene, 1,2,3,4,5-pentabromo-6-(2,3,5,6-tetrabromophenoxy)- [ACD/Index Name]
BDE-208
BENZENE, PENTABROMO(2,3,5,6-TETRABROMOPHENOXY)-
PBDE Congener No. 208

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

NA2125E3OC [DBID]
UNII:NA2125E3OC [DBID]

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

Density: 2.9±0.1 g/cm3
Boiling Point: 543.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 228.4±28.6 °C
Index of Refraction: 1.729
Molar Refractivity: 121.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 10.70
ACD/LogD (pH 5.5): 9.83
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5283043.50
ACD/LogD (pH 7.4): 9.83
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5283043.50
Polar Surface Area: 9 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 305.7±3.0 cm3

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