2,4,6-Tribromophenol
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CAS Number 118-79-6
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Catalog Number io-37449
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Classification Acids
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Molecular Weight 330.8000
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SMILES C1=C(C=C(C(=C1Br)O)Br)Br
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2,4,6-tribromophenol is a bromophenol that is phenol in which the hydrogens at positions 2, 4 and 6 have been replaced by bromines. It is commonly used as a fungicide and in the preparation of flame retardants. It has a role as an environmental contaminant, a fungicide and a marine metabolite.
| 1 | 2,4,6-tribromophenol |
| 2 | Tribromophenol |
| 3 | Bromol |
| 4 | Phenol, 2,4,6-tribromo- |
| 5 | Bromkal pur 3 |
| Molecular Formula | C6H3Br3O |
|---|---|
| Canonical SMILES | C1=C(C=C(C(=C1Br)O)Br)Br |
| Isomeric SMILES | C1=C(C=C(C(=C1Br)O)Br)Br |
| Molecular Weight | 330.8000 |
| InChIKey | BSWWXRFVMJHFBN-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H |
| XLogP | 4.4000 |
| ExactMass | 329.7714 |
| MonoisotopicMass | 327.7734 |
| TPSA | 20.2000 |
| Complexity | 108.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 10 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 14397 |
| PatentFamilyCount | 5826 |
| LiteratureCount | 600 |
