10967/146 - QDB Compounds

QsarDB Repository

Papa, E.; Kovarich, S.; Gramatica, P. Development, Validation and Inspection of the Applicability Domain of QSPR Models for Physicochemical Properties of Polybrominated Diphenyl Ethers. QSAR Comb. Sci. 2009, 28, 790–796.

25 compounds | Property TM: Melting point [°C]

IDNameTMDetails
151-bromo-4-(4-bromophenoxy)benzene i57.49View
282,4-dibromo-1-(4-bromophenoxy)benzene i64.25View
301,3,5-tribromo-2-phenoxybenzene i85.5View
321,3-dibromo-2-(4-bromophenoxy)benzene i77.25View
371,2-dibromo-4-(4-bromophenoxy)benzene i48.5View
472,4-dibromo-1-(2,4-dibromophenoxy)benzene i82.58View
511,3-dibromo-2-(2,4-dibromophenoxy)benzene i96.5View
662,4-dibromo-1-(3,4-dibromophenoxy)benzene i106View
711,3-dibromo-2-(3,4-dibromophenoxy)benzene i134.5View
751,3,5-tribromo-2-(4-bromophenoxy)benzene i135View
771,2-dibromo-4-(3,4-dibromophenoxy)benzene i95.87View
851,2,3-tribromo-4-(2,4-dibromophenoxy)benzene i121.65View
991,2,4-tribromo-5-(2,4-dibromophenoxy)benzene i89.82View
1001,3,5-tribromo-2-(2,4-dibromophenoxy)benzene i99View
1161,2,3,4,5-pentabromo-6-phenoxybenzene i199.75View
1191,3,5-tribromo-2-(3,4-dibromophenoxy)benzene i86.5View
1281,2,3-tribromo-4-(2,3,4-tribromophenoxy)benzene i182.55View
1401,2,3-tribromo-4-(2,4,6-tribromophenoxy)benzene i180.5View
1531,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene i162.2View
1541,2,4-tribromo-5-(2,4,6-tribromophenoxy)benzene i137.13View
1661,2,3,4,5-pentabromo-6-(4-bromophenoxy)benzene i184View
1811,2,3,4,5-pentabromo-6-(2,4-dibromophenoxy)benzene i156.5View
1831,2,3,5-tetrabromo-4-(2,4,5-tribromophenoxy)benzene i172View
1901,2,3,4,5-pentabromo-6-(3,4-dibromophenoxy)benzene i197.25View
1971,2,3,5-tetrabromo-4-(2,3,4,6-tetrabromophenoxy)benzene i206View

Bibliography

  1. Tittlemier, S. A.; Halldorson, T.; Stern, G. A.; Tomy, G. T. Vapor pressures, aqueous solubilities, and Henry’s law constants of some brominated flame retardants. Environmental Toxicology and Chemistry 2002, 21, 1804–1810. http://dx.doi.org/10.1002/etc.5620210907

  2. Marsh, G.; Hu, J.; Jakobsson, E.; Rahm, S.; Bergman, A. Synthesis and Characterization of 32 Polybrominated Diphenyl Ethers. Environ. Sci. Technol. 1999, 33, 3033–3037. http://dx.doi.org/10.1021/es9902266

  3. Palm, A.; Cousins, I. T.; Mackay, D.; Tysklinnd, M.; Alaee, M. Assessing the environmental fate of chemicals of emerging concern: a case study of the polybrominated diphenyl ethers. Environmental Pollution 2002, 117, 195–213. http://dx.doi.org/10.1016/s0269-7491(01)00276-7

  4. Kuramochi, H.; Maeda, K.; Kawamoto, K. Physicochemical properties of selected polybrominated diphenyl ethers and extension of the UNIFAC model to brominated aromatic compounds. Chemosphere 2007, 67, 1858–1865. http://dx.doi.org/10.1016/j.chemosphere.2006.05.076