ChemSpider 2D Image | 2,3,4,4',5-Pentabromobiphenyl | C12H5Br5

2,3,4,4',5-Pentabromobiphenyl

  • Molecular FormulaC12H5Br5
  • Average mass548.688 Da
  • Monoisotopic mass543.630798 Da
  • ChemSpider ID136119

More details:

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

1,1'-Biphenyl, 2,3,4,4',5-pentabromo- [ACD/Index Name]
2,3,4,4',5-Pentabrombiphenyl [German] [ACD/IUPAC Name]
2,3,4,4',5-pentabromo-1,1'-biphenyl
2,3,4,4',5-Pentabromobiphenyl [ACD/IUPAC Name]
2,3,4,4',5-Pentabromobiphényle [French] [ACD/IUPAC Name]
96551-70-1 [RN]
1,1'-Biphenyl, 2,3',4,4',5-pentabromo- [ACD/Index Name]
1,2,3,4-tetrabromo-5-(4-bromophenyl)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

0S531A1M64 [DBID]
UNII:0S531A1M64 [DBID]
UNII-0S531A1M64 [DBID]
  • Miscellaneous

    • Toxicity:

      Organic Compound; Aromatic Hydrocarbon; Organobromide; Polybrominated Biphenyl; Bromide Compound; Industrial/Workplace Toxin; Synthetic Compound Toxin, Toxin-Target Database T3D2021

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

Density: 2.3±0.1 g/cm3
Boiling Point: 451.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 218.8±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: 7.24
ACD/LogD (pH 5.5): 7.03
ACD/BCF (pH 5.5): 130777.86
ACD/KOC (pH 5.5): 159953.17
ACD/LogD (pH 7.4): 7.03
ACD/BCF (pH 7.4): 130777.86
ACD/KOC (pH 7.4): 159953.17
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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