Tefluthrin
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Basic Info
| Common Name | Tefluthrin(F06138) |
| 2D Structure | |
| FRCD ID | F06138 |
| CAS Number | 79538-32-2 |
| PubChem CID | 11534837 |
| Formula | C17H14ClF7O2 |
| IUPAC Name | (2,3,5,6-tetrafluoro-4-methylphenyl)methyl (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate |
| InChI Key | ZFHGXWPMULPQSE-SZGBIDFHSA-N |
| InChI | InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-/t8-,10-/m1/s1 |
| Canonical SMILES | CC1=C(C(=C(C(=C1F)F)COC(=O)C2C(C2(C)C)C=C(C(F)(F)F)Cl)F)F |
| Isomeric SMILES | CC1=C(C(=C(C(=C1F)F)COC(=O)[C@H]2[C@H](C2(C)C)/C=C(/C(F)(F)F)\Cl)F)F |
| Synonyms |
Tefluthrin
Force
Tefluthrine [ISO-French]
79538-32-2
Forza
Tefluthrin [BSI:ISO]
HSDB 7135
PP993
EPA Pesticide Chemical Code 128912
C17H14ClF7O2
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 418.736 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Complexity | 591 |
| Monoisotopic Mass | 418.057 |
| Exact Mass | 418.057 |
| XLogP | 5.4 |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9858 |
| Human Intestinal Absorption | HIA+ | 1.0000 |
| Caco-2 Permeability | Caco2+ | 0.6661 |
| P-glycoprotein Substrate | Non-substrate | 0.6489 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.7505 |
| Non-inhibitor | 0.9405 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.8936 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.9162 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8110 |
| CYP450 2D6 Substrate | Non-substrate | 0.8776 |
| CYP450 3A4 Substrate | Substrate | 0.5906 |
| CYP450 1A2 Inhibitor | Inhibitor | 0.8311 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.7488 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9013 |
| CYP450 2C19 Inhibitor | Inhibitor | 0.7821 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.8434 |
| CYP Inhibitory Promiscuity | High CYP Inhibitory Promiscuity | 0.6887 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9447 |
| Non-inhibitor | 0.9139 | |
| AMES Toxicity | Non AMES toxic | 0.6800 |
| Carcinogens | Non-carcinogens | 0.5170 |
| Fish Toxicity | High FHMT | 0.9898 |
| Tetrahymena Pyriformis Toxicity | High TPT | 1.0000 |
| Honey Bee Toxicity | High HBT | 0.8665 |
| Biodegradation | Not ready biodegradable | 0.9950 |
| Acute Oral Toxicity | I | 0.7706 |
| Carcinogenicity (Three-class) | Non-required | 0.5614 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -6.4578 | LogS |
| Caco-2 Permeability | 1.7691 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 4.1620 | LD50, mol/kg |
| Fish Toxicity | -0.6016 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 1.4318 | pIGC50, ug/L |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Figs | 0161020 | European Union | 0.05 | 05/06/2018 | |
| Table olives (Chinese black olives, Chinese white olives, Desert dates,) | 0161030 | European Union | 0.05 | 05/06/2018 | |
| Carambolas (Ambarellas, Aonlas/Indian gooseberries, Babacos, Bilimbis, Cashew apples, Indian jujubes/bers, Jaboticabas, Malay pommarosas/pomeracs, Malayan mombins, Maprangs/marian plums, Natal plum... | 0161050 | European Union | 0.05 | 05/06/2018 | |
| Litchis/lychees (Longans, Marulas, Salaks/snake fruits, Spanish limes/mamoncillos/genips, Baels,) | 0162020 | European Union | 0.05 | 05/06/2018 | |
| Bananas (Cavendishes/grand nains, Cavendishes/grand nains, Cavendishes/grand nains, Dwarf bananas/lady fingers bananas, Plantains, Plantains, Plantains,) | 0163020 | European Union | 0.05 | 05/06/2018 | |
| Courgettes (Angled luffas/teroi, Bottle gourds/calabashes/lauki, Chayotes/christophines, Ivy gourds, Pointed gourds/parwals, Snake gourds, Sopropos/bitter melons/balsam pears, Summer squashes/zucch... | 0232030 | European Union | 0.05 | 05/06/2018 | |
| Cresses and other sprouts and shoots (Alfalfa/lucerne sprouts, Chinese chives/oriental garlic/garlic chives sprouts, Broccoli sprouts, Daikon/Japanese radish sprouts, Ginger shoots, Mung bean sprou... | 0251040 | European Union | 0.05 | 05/06/2018 | |
| Sage (Borage, Curry herb, Greek sage, Jamé's sage/Mexican sage, Other species and hybrids of genus Salvia, not elsewhere mentioned,) | 0256050 | European Union | 0.05 | 05/06/2018 | |
| Thyme (Creeping thyme, Cretan oregano/Turkish oregano, Lemon savory, Lemon thyme/citrus thyme, Marjoram, Mastic thyme, Oregano, Summer savory, Syrian oregano/bible hyssop/za'atar, Winter savory,) | 0256070 | European Union | 0.05 | 05/06/2018 | |
| Basil and edible flowers (Apple mint, Asiatic pennywort, Bergamot mint/eau-de-Cologne mint, Corsican mint, Courgette (edible flowers), Gingermint, Greek bush basil, Hoary basil, Holy basil/tulsi, L... | 0256080 | European Union | 0.05 | 05/06/2018 | |
| Sunflower seeds | 0401050 | European Union | 0.05 | 05/06/2018 | |
| Rapeseeds/canola seeds (Radish seeds, Turnip rape seeds,) | 0401060 | European Union | 0.05 | 05/06/2018 | |
| Rose (Almond, Bee balm, Bitter orange/sour orange, Black locust, Cat’s foot, Chrysanthemum, Cinnamon, Clary sage, Cornflower, Cowslip/primrose, Daisy, Dyer’s broom, Elder, Field poppy, Great mullei... | 0631030 | European Union | 0.05 | 05/06/2018 | |
| Potato | Japan | 0.1ppm | |||
| Sweet peppers/bell peppers (Chili peppers,) | 0231020 | European Union | 0.05 | 05/06/2018 | |
| Laurel/bay leaves (Curry leaves, Kaffir lime leaves, Siamese cassia, Wild betel leaves, Pandan leaves,) | 0256090 | European Union | 0.05 | 05/06/2018 | |
| Kumquats (Marumi kumquats/round kumquats, Nagami kumquats/oval kumquats, Other species and hybrids of genus Fortunella, not elsewhere mentioned,) | 0161040 | European Union | 0.05 | 05/06/2018 | |
| Kaki/Japanese persimmons | 0161060 | European Union | 0.05 | 05/06/2018 | |
| Jambuls/jambolans (Acerolas/Barbados cherries, Arbutus berries, Camu camus, Carandas, Coco plums, Grumichamas/Brazil cherries, Hog plums/yellow mombins, Java apples, Otaheite gooseberries, Sea grap... | 0161070 | European Union | 0.05 | 05/06/2018 | |
| Others (2) | 0161990 | European Union | 0.05 | 05/06/2018 |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Decomposition rates and residue-colonizing microbial communities of Bacillus thuringiensis insecticidal protein Cry3Bb-expressing (Bt) and non-Bt corn hybrids in the field. | Appl Environ Microbiol | 2011 Feb | 21148693 |
| Mortality of a wireworm, Agriotes obscurus (Coleoptera: Elateridae), after topical application of various insecticides. | J Econ Entomol | 2008 Apr | 18459401 |