ChemSpider 2D Image | 2,2',3,3',5,5',6,6'-Octabromobiphenyl | C12H2Br8

2,2',3,3',5,5',6,6'-Octabromobiphenyl

  • Molecular FormulaC12H2Br8
  • Average mass785.376 Da
  • Monoisotopic mass777.362305 Da
  • ChemSpider ID136011

More details:

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

1,1'-Biphenyl, 2,2',3,3',5,5',6,6'-octabromo- [ACD/Index Name]
2,2',3,3',5,5',6,6'-Octabrombiphenyl [German] [ACD/IUPAC Name]
2,2',3,3',5,5',6,6'-Octabromo-1,1'-biphenyl
2,2',3,3',5,5',6,6'-Octabromobiphenyl [ACD/IUPAC Name]
2,2',3,3',5,5',6,6'-Octabromobiphényle [French] [ACD/IUPAC Name]
59080-41-0 [RN]
"1,1`-BIPHENYL, OCTABROMO-"
1,1'-Biphenyl, 2,2',3,3',4,5,5',6'-octabromo- [ACD/Index Name]
1,1'-Biphenyl, Octabromo-
1,2,3,4-tetrabromo-5-(2,3,5,6-tetrabromophenyl)benzene
More...

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

C0YT48Q85I [DBID]
UNII:C0YT48Q85I [DBID]
UNII-C0YT48Q85I [DBID]
  • Miscellaneous

    • Toxicity:

      Organic Compound; Aromatic Hydrocarbon; Organobromide; Polybrominated Biphenyl; Bromide Compound; Industrial/Workplace Toxin; Synthetic Compound Toxin, Toxin-Target Database T3D1971

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

Density: 2.8±0.1 g/cm3
Boiling Point: 504.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 248.9±23.5 °C
Index of Refraction: 1.721
Molar Refractivity: 112.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 8.35
ACD/LogD (pH 5.5): 8.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1051790.50
ACD/LogD (pH 7.4): 8.54
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1051790.50
Polar Surface Area: 0 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 284.2±3.0 cm3

Click to predict properties on the Chemicalize site


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