10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

25 compounds | Property M10.MP: Melting Point [°C]

IDNameM10.MPDetails
1821-bromo-4-(4-bromophenoxy)benzene i57.49View
1852,4-dibromo-1-(4-bromophenoxy)benzene i64.25View
1861,3,5-tribromo-2-phenoxybenzene i85.5View
1871,3-dibromo-2-(4-bromophenoxy)benzene i77.25View
1891,2-dibromo-4-(4-bromophenoxy)benzene i48.5View
1902,4-dibromo-1-(2,4-dibromophenoxy)benzene i82.58View
1911,2-dibromo-4-(2,4-dibromophenoxy)benzene i106View
1931,3,5-tribromo-2-(4-bromophenoxy)benzene i135View
1941,2-dibromo-4-(3,4-dibromophenoxy)benzene i95.87View
1961,2,3-tribromo-4-(2,4-dibromophenoxy)benzene i121.65View
1971,2,4-tribromo-5-(2,4-dibromophenoxy)benzene i89.82View
1981,3,5-tribromo-2-(2,4-dibromophenoxy)benzene i99View
1991,3,5-tribromo-2-(3,4-dibromophenoxy)benzene i86.5View
2011,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene i162.2View
2021,3,5-tribromo-2-(2,4,5-tribromophenoxy)benzene i137.125View
2041,2,3,5-tetrabromo-4-(2,4,5-tribromophenoxy)benzene i172View
2051,3-dibromo-2-(2,4-dibromophenoxy)benzene i96.5View
2061,3-dibromo-2-(3,4-dibromophenoxy)benzene i134.5View
2071,2,3,4,5-pentabromo-6-phenoxybenzene i199.75View
2081,2,3-tribromo-4-(2,3,4-tribromophenoxy)benzene i182.55View
2091,2,3-tribromo-4-(2,4,6-tribromophenoxy)benzene i180.5View
2101,2,3,4,5-pentabromo-6-(4-bromophenoxy)benzene i184View
2111,2,3,4,5-pentabromo-6-(2,4-dibromophenoxy)benzene i156.5View
2121,2,3,4,5-pentabromo-6-(3,4-dibromophenoxy)benzene i197.25View
2131,2,3,5-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. https://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. https://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. https://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. https://doi.org/10.1016/j.chemosphere.2006.05.076