| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM13560924-1 |
| Product Name | Dechlorane 603 |
| CAS | 13560-92-4 |
| Structure |  |
| Synonyms | 1,2,3,4,5,6,7,8,12,12,13,13-Dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-1,4:5,8:9,10-trimethanoanthracene; |
| IUPAC Name | 3,4,5,6,10,11,12,13,16,16,17,17-dodecachlorohexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadeca-4,11-diene |
| Molecular Weight | 637.7 |
| Molecular Formula | C17H8Cl12 |
| Canonical SMILES | C1C2C3C(C1C4C2C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl |
| InChI | InChI=1S/C17H8Cl12/c18-8-10(20)14(24)6-3-1-2(4(6)12(8,22)16(14,26)27)5-7(3)15(25)11(21)9(19)13(5,23)17(15,28)29/h2-7H,1H2 |
| InChIKey | WSEXCYJMFQVEIN-UHFFFAOYSA-N |
| Boiling Point | 557.4±50.0 °C |
| Melting Point | >300 °C |
| Purity | 96% |
| Density | 1.96±0.1 g/cm3 |
| Appearance | White Solid |
| Complexity | 829 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 637.679982 |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 631.688833 |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0 Ų |
| Undefined Atom Stereocenter Count | 8 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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