ChemSpider 2D Image | Hexabromodiphenyl ether | C12H4Br6O

Hexabromodiphenyl ether

  • Molecular FormulaC12H4Br6O
  • Average mass643.584 Da
  • Monoisotopic mass637.536194 Da
  • ChemSpider ID17215722

More details:

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

1,2,3-Tribrom-4-(2,3,5-tribromphenoxy)benzol [German] [ACD/IUPAC Name]
1,2,3-Tribromo-4-(2,3,5-tribromophenoxy)benzene [ACD/IUPAC Name]
1,2,3-Tribromo-4-(2,3,5-tribromophénoxy)benzène [French] [ACD/IUPAC Name]
2,2',3,3',4,5'-HEXABROMODIPHENYL ETHER
253-058-6 [EINECS]
36483-60-0 [RN]
Benzene, 1,2,3-tribromo-4-(2,3,5-tribromophenoxy)- [ACD/Index Name]
Hexabromodiphenyl ether
1,2,5-tribromo-3-(2,3,4-tribromophenoxy)benzene
Hexabromobiphenyl Ether

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

43RJL1RVQF [DBID]
UNII:43RJL1RVQF [DBID]
  • Miscellaneous

    • Toxicity:

      Organic Compound; Aromatic Hydrocarbon; Organobromide; Polybrominated Biphenyl; Ether; Bromide Compound; Industrial/Workplace Toxin; Synthetic Compound Toxin, Toxin-Target Database T3D2041

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

Density: 2.5±0.1 g/cm3
Boiling Point: 477.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 199.2±27.2 °C
Index of Refraction: 1.695
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 8.83
ACD/LogD (pH 5.5): 7.92
ACD/BCF (pH 5.5): 611451.75
ACD/KOC (pH 5.5): 482446.09
ACD/LogD (pH 7.4): 7.92
ACD/BCF (pH 7.4): 611451.75
ACD/KOC (pH 7.4): 482446.09
Polar Surface Area: 9 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 257.1±3.0 cm3

Click to predict properties on the Chemicalize site


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