ChemSpider 2D Image | 2,2',4,5,6'-Pentabromobiphenyl | C12H5Br5

2,2',4,5,6'-Pentabromobiphenyl

  • Molecular FormulaC12H5Br5
  • Average mass548.688 Da
  • Monoisotopic mass543.630798 Da
  • ChemSpider ID136089

More details:

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

1,1'-Biphenyl, 2,2',4,5,6'-pentabromo- [ACD/Index Name]
2,2',4,5,6'-Pentabrombiphenyl [German] [ACD/IUPAC Name]
2,2',4,5,6'-Pentabromo-1,1'-biphenyl
2,2',4,5,6'-Pentabromobiphenyl [ACD/IUPAC Name]
2,2',4,5,6'-Pentabromobiphényle [French] [ACD/IUPAC Name]
80274-92-6 [RN]
1,1'-Biphenyl, 2,3',4,4',5-pentabromo- [ACD/Index Name]
1,2,4-tribromo-5-(2,6-dibromophenyl)benzene
1,2,4-tribromo-5-(3,4-dibromophenyl)benzene
2,3',4,4',5-Pentabromo-1,1'-biphenyl
More...

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

N4MQQ1359B [DBID]
UNII:N4MQQ1359B [DBID]
UNII-N4MQQ1359B [DBID]
  • Miscellaneous

    • Toxicity:

      Organic Compound; Aromatic Hydrocarbon; Organobromide; Polybrominated Biphenyl; Bromide Compound; Industrial/Workplace Toxin; Synthetic Compound Toxin, Toxin-Target Database T3D2000

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

Density: 2.3±0.1 g/cm3
Boiling Point: 433.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 208.9±22.1 °C
Index of Refraction: 1.682
Molar Refractivity: 89.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 6.97
ACD/BCF (pH 5.5): 116424.87
ACD/KOC (pH 5.5): 147181.70
ACD/LogD (pH 7.4): 6.97
ACD/BCF (pH 7.4): 116424.87
ACD/KOC (pH 7.4): 147181.70
Polar Surface Area: 0 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 235.6±3.0 cm3

Click to predict properties on the Chemicalize site


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