Permethrin
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CAS Number 52645-53-1
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Catalog Number io-2826
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Classification Esters
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Molecular Weight 391.3000
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SMILES CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
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Permethrin is a cyclopropanecarboxylate ester in which the esterifying alcohol is 3-phenoxybenzyl alcohol and the cyclopropane ring is substituted with a 2,2-dichlorovinyl group and with gem-dimethyl groups. It has a role as a pyrethroid ester insecticide, a pyrethroid ester acaricide, an agrochemical, an ectoparasiticide and a scabicide. It is a member of cyclopropanes and a cyclopropanecarboxylate ester. It is functionally related to a 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid.
| 1 | Permethrin |
| 2 | Ambush |
| 3 | Pounce |
| 4 | Transpermethrin |
| 5 | Permethrine |
| Molecular Formula | C21H20Cl2O3 |
|---|---|
| Canonical SMILES | CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C |
| Isomeric SMILES | CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C |
| Molecular Weight | 391.3000 |
| InChIKey | RLLPVAHGXHCWKJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3 |
| XLogP | 6.5000 |
| ExactMass | 390.0789 |
| MonoisotopicMass | 390.0789 |
| TPSA | 35.5000 |
| Complexity | 521.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 7 |
| HeavyAtomCount | 26 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 2 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 2 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 32864 |
| PatentFamilyCount | 11273 |
| LiteratureCount | 6837 |
