ChemSpider 2D Image | 2,2',3,3',4,5,6-Heptabromobiphenyl | C12H3Br7

2,2',3,3',4,5,6-Heptabromobiphenyl

  • Molecular FormulaC12H3Br7
  • Average mass706.480 Da
  • Monoisotopic mass699.451782 Da
  • ChemSpider ID2298868

More details:

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

1,1'-Biphenyl, 2,2',3,3',4,5,6-heptabromo- [ACD/Index Name]
2,2',3,3',4,5,6-Heptabrombiphenyl [German] [ACD/IUPAC Name]
2,2',3,3',4,5,6-Heptabromobiphenyl [ACD/IUPAC Name]
2,2',3,3',4,5,6-Heptabromobiphényle [French] [ACD/IUPAC Name]
955955-59-6 [RN]
1,1'-Biphenyl, heptabromo-
1,2,3,4,5-pentabromo-6-(2,3-dibromophenyl)benzene
35194-78-6 [RN]
Heptabromo-1,1'-biphenyl
Heptabromobiphenyl
More...

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

1CNT2L817W [DBID]
UNII:1CNT2L817W [DBID]
UNII-1CNT2L817W [DBID]
  • Miscellaneous

    • Toxicity:

      Organic Compound; Aromatic Hydrocarbon; Organobromide; Polybrominated Biphenyl; Bromide Compound; Industrial/Workplace Toxin; Synthetic Compound Toxin, Toxin-Target Database T3D1949

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

Density: 2.6±0.1 g/cm3
Boiling Point: 492.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 242.3±22.1 °C
Index of Refraction: 1.710
Molar Refractivity: 104.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 7.96
ACD/BCF (pH 5.5): 665110.19
ACD/KOC (pH 5.5): 512386.41
ACD/LogD (pH 7.4): 7.96
ACD/BCF (pH 7.4): 665110.19
ACD/KOC (pH 7.4): 512386.41
Polar Surface Area: 0 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 268.0±3.0 cm3

Click to predict properties on the Chemicalize site


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