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| Chemical manufacturer since 2002 | ||||
| Name | 2,3,3',4,4',6-Hexachlorobiphenyl |
|---|---|
| Synonyms | 1,1'-Biphenyl, 2,3,3',4,4',6-Hexachloro-; 1,1'-Biphenyl-2,3,3',4,4',6-Hexachloro-; Pcb 158 |
| Molecular Structure |  |
| Molecular Formula | C12H4Cl6 |
| Molecular Weight | 360.88 |
| CAS Registry Number | 74472-42-7 |
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C=C2)Cl)Cl)Cl |
| InChI | 1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-8(15)4-9(16)11(17)12(10)18/h1-4H |
| InChIKey | ZQUPQXINXTWCQR-UHFFFAOYSA-N |
| Density | 1.594g/cm3 (Cal.) |
|---|---|
| Boiling point | 399.075°C at 760 mmHg (Cal.) |
| Flash point | 195.347°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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