Cycloprothrin
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Basic Info
| Common Name | Cycloprothrin(F05758) |
| 2D Structure | |
| FRCD ID | F05758 |
| CAS Number | 63935-38-6 |
| PubChem CID | 91686 |
| Formula | C26H21Cl2NO4 |
| IUPAC Name | [cyano-(3-phenoxyphenyl)methyl] 2,2-dichloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylate |
| InChI Key | CGTWCAVZZBLHQH-UHFFFAOYSA-N |
| InChI | InChI=1S/C26H21Cl2NO4/c1-2-31-20-13-11-19(12-14-20)25(17-26(25,27)28)24(30)33-23(16-29)18-7-6-10-22(15-18)32-21-8-4-3-5-9-21/h3-15,23H,2,17H2,1H3 |
| Canonical SMILES | CCOC1=CC=C(C=C1)C2(CC2(Cl)Cl)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4 |
| Isomeric SMILES | CCOC1=CC=C(C=C1)C2(CC2(Cl)Cl)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4 |
| Synonyms |
2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester
Cycloprothrin
Phencyclate
63935-38-6
Cycloprothrin [ISO]
Cyclosal (insecticide)
GH 414
NK 8116
Cyclopropanecarboxylic acid, 2,2-dichloro-1-(4-ethoxyphenyl)-, cyano(3-phenoxyphenyl)methyl ester
[cyano-(3-phenoxyphenyl)methyl] 2,2-dichloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylate
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents |
|
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylether - Diaryl ether - Benzyloxycarbonyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 482.357 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Complexity | 723 |
| Monoisotopic Mass | 481.085 |
| Exact Mass | 481.085 |
| XLogP | 6.2 |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Salsify | Japan | 0.02ppm | |||
| Burdock | Japan | 0.02ppm | |||
| Passion Fruit | Japan | 0.2ppm | |||
| Chicory | Japan | 0.02ppm | |||
| Other Herbs | Japan | 0.02ppm | |||
| Other Spices | Japan | 0.2ppm | |||
| Hop | Japan | 0.02ppm | |||
| Cacao Beans | Japan | 0.02ppm | |||
| Coffee Beans | Japan | 0.02ppm | |||
| Tea | Japan | 0.5ppm | |||
| Other Nuts | Japan | 0.2ppm | |||
| Walnut | Japan | 0.2ppm | |||
| Almond | Japan | 0.2ppm | |||
| Pecan | Japan | 0.2ppm | |||
| Chestnut | Japan | 0.2ppm | |||
| Ginkgo Nut | Japan | 0.2ppm | |||
| Other Oil Seeds | Japan | 0.2ppm | |||
| Rapeseeds | Japan | 0.2ppm | |||
| Cotton Seeds | Japan | 0.2ppm | |||
| Safflower Seeds | Japan | 0.2ppm |