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| Name | 2,2',3,3',4,4',6-Heptachlorobiphenyl |
|---|---|
| Synonyms | 2,2',3,3',4,4',6-Heptachlorobiphenyl; 1,1'-Biphenyl, 2,2',3,3',4,4',6-Heptachloro-; 2,2',3,3',4,4',6-Heptachloro-1,1'-Biphenyl |
| Molecular Structure |  |
| Molecular Formula | C12H3Cl7 |
| Molecular Weight | 395.33 |
| CAS Registry Number | 52663-71-5 |
| SMILES | C2=C(C1=C(C=C(C(=C1Cl)Cl)Cl)Cl)C(=C(C(=C2)Cl)Cl)Cl |
| InChI | 1S/C12H3Cl7/c13-5-2-1-4(9(16)10(5)17)8-6(14)3-7(15)11(18)12(8)19/h1-3H |
| InChIKey | TZMHVHLTPWKZCI-UHFFFAOYSA-N |
| Density | 1.658g/cm3 (Cal.) |
|---|---|
| Boiling point | 410.839°C at 760 mmHg (Cal.) |
| Flash point | 200.877°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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