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| Classification | Analytical chemistry >> Food safety >> Dioxins, polychlorinated biphenyls, furans |
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| Name | 2,3',4,4',5-Pentachlorobiphenyl |
| Synonyms | Ncgc00163737-01; 1,1'-Biphenyl, 2,3',4,4',5-Pentachloro-; 2,3',4,4',5-Pentachlorobiphenyl |
| Molecular Structure |  |
| Molecular Formula | C12H5Cl5 |
| Molecular Weight | 326.44 |
| CAS Registry Number | 31508-00-6 |
| SMILES | C1=C(C(=CC=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl |
| InChI | 1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H |
| InChIKey | IUTPYMGCWINGEY-UHFFFAOYSA-N |
| Density | 1.522g/cm3 (Cal.) |
|---|---|
| Boiling point | 388.227°C at 760 mmHg (Cal.) |
| Flash point | 190.591°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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| Market Analysis Reports |
| List of Reports Available for 2,3',4,4',5-Pentachlorobiphenyl |