ChemSpider 2D Image | 2,2',3,3',4,6'-Hexabromobiphenyl | C12H4Br6

2,2',3,3',4,6'-Hexabromobiphenyl

  • Molecular FormulaC12H4Br6
  • Average mass627.584 Da
  • Monoisotopic mass621.541260 Da
  • ChemSpider ID135626

More details:

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

1,1'-Biphenyl, 2,2',3,3',4,6'-hexabromo- [ACD/Index Name]
119264-50-5 [RN]
2,2',3,3',4,6'-Hexabrombiphenyl [German] [ACD/IUPAC Name]
2,2',3,3',4,6'-Hexabromo-1,1'-biphenyl
2,2',3,3',4,6'-Hexabromobiphenyl [ACD/IUPAC Name]
2,2',3,3',4,6'-Hexabromobiphényle [French] [ACD/IUPAC Name]
1,1'-BIPHENYL, 2,2',3,3',4,6'-HEXABROMO-, (1R)-
1,1'-Biphenyl, 3,3',4,4',5,5'-hexabromo- [ACD/Index Name]
1,2,3-tribromo-4-(2,3,6-tribromophenyl)benzene
1,2,3-tribromo-5-(3,4,5-tribromophenyl)benzene
More...

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

S3KI4T3M0J [DBID]
CCRIS 5774 [DBID]
UNII:S3KI4T3M0J [DBID]
UNII-S3KI4T3M0J [DBID]
  • Miscellaneous

    • Toxicity:

      Organic Compound; Aromatic Hydrocarbon; Organobromide; Polybrominated Biphenyl; Bromide Compound; Industrial/Workplace Toxin; Synthetic Compound Toxin, Toxin-Target Database T3D1923

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

Density: 2.5±0.1 g/cm3
Boiling Point: 468.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 228.9±22.1 °C
Index of Refraction: 1.697
Molar Refractivity: 97.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 7.48
ACD/LogD (pH 5.5): 7.47
ACD/BCF (pH 5.5): 281021.50
ACD/KOC (pH 5.5): 276555.31
ACD/LogD (pH 7.4): 7.47
ACD/BCF (pH 7.4): 281021.50
ACD/KOC (pH 7.4): 276555.31
Polar Surface Area: 0 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 251.8±3.0 cm3

Click to predict properties on the Chemicalize site


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