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| Name | 2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl |
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| Synonyms | Biphenyl, 2,2',3,3',4,4',5,5',6-Nonachloro-; 2,2',3,3',4,4',5,5',6-Nonachloro-1,1'-Biphenyl; 1,1'-Biphenyl, 2,2',3,3',4,4',5,5',6-Nonachloro- |
| Molecular Structure |  |
| Molecular Formula | C12HCl9 |
| Molecular Weight | 464.22 |
| CAS Registry Number | 40186-72-9 |
| SMILES | C2=C(C1=C(C(=C(Cl)C(=C1Cl)Cl)Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl |
| InChI | 1S/C12HCl9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H |
| InChIKey | JFIMDKGRGPNPRQ-UHFFFAOYSA-N |
| Density | 1.77g/cm3 (Cal.) |
|---|---|
| Boiling point | 458.65°C at 760 mmHg (Cal.) |
| Flash point | 230.165°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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