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| Classification | Analytical chemistry >> Food safety >> Dioxins, polychlorinated biphenyls, furans |
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| Name | 2,2',3,3',4,5-Hexachlorobiphenyl |
| Synonyms | 2,2',3,3',4,5-Hexachlorobiphenyl; 1,1'-Biphenyl, 2,2',3,3',4,5-Hexachloro-; 2,2',3,3',4,5-Hexachloro-1,1'-Biphenyl |
| Molecular Structure |  |
| Molecular Formula | C12H4Cl6 |
| Molecular Weight | 360.88 |
| CAS Registry Number | 55215-18-4 |
| SMILES | C2=C(C1=CC=CC(=C1Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl |
| InChI | 1S/C12H4Cl6/c13-7-3-1-2-5(9(7)15)6-4-8(14)11(17)12(18)10(6)16/h1-4H |
| InChIKey | VQQKIXKPMJTUMP-UHFFFAOYSA-N |
| Density | 1.594g/cm3 (Cal.) |
|---|---|
| Boiling point | 403.946°C at 760 mmHg (Cal.) |
| Flash point | 198.952°C (Cal.) |
| (1) | Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493 |
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| List of Reports Available for 2,2',3,3',4,5-Hexachlorobiphenyl |