3,3',5,5'-Tetrachlorobiphenyl
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CAS Number 12672-29-6
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Catalog Number io-1754
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Classification Aryl Halides
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Molecular Weight 292.0000
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SMILES C1=C(C=C(C=C1Cl)Cl)C2=CC(=CC(=C2)Cl)Cl
| Size | QTY | Notes | |
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3,3',5,5'-tetrachlorobiphenyl is a tetrachlorobiphenyl that is biphenyl in which both phenyl groups are substituted by chlorines at positions 3 and 5. It is a tetrachlorobiphenyl and a dichlorobenzene.
| 1 | 3,3',5,5'-TETRACHLOROBIPHENYL |
| 2 | 33284-52-5 |
| 3 | Kanechlor 400 |
| 4 | 3,5,3',5'-Tetrachlorobiphenyl |
| 5 | 3,3',5,5'-Tetrachlorodiphenyl |
| Molecular Formula | C12H6Cl4 |
|---|---|
| Canonical SMILES | C1=C(C=C(C=C1Cl)Cl)C2=CC(=CC(=C2)Cl)Cl |
| Isomeric SMILES | C1=C(C=C(C=C1Cl)Cl)C2=CC(=CC(=C2)Cl)Cl |
| Molecular Weight | 292.0000 |
| InChIKey | UTMWFJSRHLYRPY-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H6Cl4/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(16)4-8/h1-6H |
| XLogP | 6.1000 |
| ExactMass | 291.9194 |
| MonoisotopicMass | 289.9224 |
| TPSA | 0.0000 |
| Complexity | 189.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 16 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 88 |
| PatentFamilyCount | 56 |
| LiteratureCount | 157 |
