ChemSpider 2D Image | 2,2',3,3',4,5,6-HEPTABROMODIPHENYL ETHER | C12H3Br7O

2,2',3,3',4,5,6-HEPTABROMODIPHENYL ETHER

  • Molecular FormulaC12H3Br7O
  • Average mass722.480 Da
  • Monoisotopic mass715.446716 Da
  • ChemSpider ID2298869

More details:

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

1,2,3,4,5-Pentabrom-6-(2,3-dibromphenoxy)benzol [German] [ACD/IUPAC Name]
1,2,3,4,5-Pentabromo-6-(2,3-dibromophenoxy)benzene [ACD/IUPAC Name]
1,2,3,4,5-Pentabromo-6-(2,3-dibromophénoxy)benzène [French] [ACD/IUPAC Name]
2,2',3,3',4,5,6-HEPTABROMODIPHENYL ETHER
446255-20-5 [RN]
Benzene, 1,2,3,4,5-pentabromo-6-(2,3-dibromophenoxy)- [ACD/Index Name]
113172-79-5 [RN]
139598-16-6 [RN]
273-031-2 [EINECS]
68928-80-3 [RN]
More...

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

KP7XAX4OX9 [DBID]
HSDB 7113 [DBID]
UNII:KP7XAX4OX9 [DBID]
  • Miscellaneous

    • Toxicity:

      Organic Compound; Aromatic Hydrocarbon; Organobromide; Polybrominated Biphenyl; Ether; Bromide Compound; Industrial/Workplace Toxin; Synthetic Compound Toxin, Toxin-Target Database T3D2042

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

Density: 2.6±0.1 g/cm3
Boiling Point: 495.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 207.2±27.2 °C
Index of Refraction: 1.708
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 9.23
ACD/LogD (pH 5.5): 8.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 860599.50
ACD/LogD (pH 7.4): 8.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 860599.50
Polar Surface Area: 9 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 273.3±3.0 cm3

Click to predict properties on the Chemicalize site


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