Sulfoxaflor
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Basic Info
| Common Name | Sulfoxaflor(F06340) |
| 2D Structure | |
| FRCD ID | F06340 |
| CAS Number | 946578-00-3 |
| PubChem CID | 16723172 |
| Formula | C10H10F3N3OS |
| IUPAC Name | [methyl-oxo-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-$l^{6}-sulfanylidene]cyanamide |
| InChI Key | ZVQOOHYFBIDMTQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3 |
| Canonical SMILES | CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C |
| Isomeric SMILES | CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C |
| Synonyms |
Sulfoxaflor
946578-00-3
Transform
Sulfoxaflor [ISO]
XDE 208
GF 2032
GF 2372
SCHEMBL520711
CHEMBL2230078
DTXSID0074687
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridines and derivatives |
| Alternative Parents | |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine - Carbo-azosulfone - Heteroaromatic compound - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 277.265 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Complexity | 459 |
| Monoisotopic Mass | 277.05 |
| Exact Mass | 277.05 |
| XLogP | 2.2 |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| 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 |
|---|---|---|---|---|---|
| Almonds (Apricot kernels, Bitter almonds, Canarium nuts/galip nuts, Pili nuts, Okari nuts,) | 0120010 | European Union | 0.02* | 26/06/2018 | |
| Pine nut kernels (Pine nut kernels from other species than Pinus pinea, Pine nut kernels from other species than Pinus pinea, Pine nut kernels from other species than Pinus pinea, Pine nut kernels ... | 0120090 | European Union | 0.02* | 26/06/2018 | |
| 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 | 0.01* | 26/06/2018 | |
| Aubergines/eggplants (Antroewas/African eggplants/gboma, Ethiopian eggplants/gilo', Pepinos, Thorn apples, Turkey berries/devil's figs/pea eggplants/pea aubergines, Kangaroo apples/poroporo,) | 0231030 | European Union | 0.3 | 26/06/2018 | |
| 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 | 0.5 | 26/06/2018 | |
| 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 | 0.02* | 26/06/2018 | |
| 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 | 0.02* | 26/06/2018 | |
| Pumpkin seeds (Watermelon seeds, Other seeds of species of familia Cucurbitaceae, not elsewhere mentioned,) | 0401100 | European Union | 0.02* | 26/06/2018 | |
| Common millet/proso millet (Black fonio, Canary grass, Finger millet/African millet/koracan, Foxtail millet, Job's tears, Little millet, Pearl millet, Teff/tef, White fonio,) | 0500040 | European Union | 0.01* | 26/06/2018 | |
| 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* | 26/06/2018 | |
| (d) any other parts of the plant (Blond psyllium (seeds, husks), Chamomile (seeds), Cherries (sweet) (stems), China/Jesuit's bark (bark), China/Jesuit's bark (bark), Cocoa (husks), Condurango (bark... | 0639000 | European Union | 0.05* | 26/06/2018 | |
| Edible offals (other than liver and kidney) | 1015050 | European Union | 0.6 | 26/06/2018 | |
| Amphibians and Reptiles (Crocodiles, Frog legs, Snakes, Turtles, Other Amphibians and Reptiles, Other frog legs from frogs not belonging to the genus Rana,) | 1050000 | European Union | 0.01* | 26/06/2018 | |
| Strawberry (Absinth/common wormwood, Agrimony, Alfalfa/lucerne, Aloe (leaf gel), Alpine ladies mantle, Bearberry, Bilberry/European blueberry/whortleberry, Birch, Bitter orange/sour orange, Blackbe... | 0632010 | European Union | 0.05* | 26/06/2018 | |
| Cotton seeds | 0401090 | European Union | 0.4 | 26/06/2018 | |
| Grapefruits (Natsudaidais, Shaddocks/pomelos, Sweeties/oroblancos, Tangelolos, Tangelos (except minneolas)/Ugli®, Other hybrids of Citrus paradisi, not elsewhere mentioned,) | 0110010 | European Union | 0.15 | 26/06/2018 | |
| Oranges (Bergamots, Bitter oranges/sour oranges, Blood oranges, Cara caras, Chinottos, Trifoliate oranges, Other hybrids of Citrus sinensis, not elsewhere mentioned,) | 0110020 | European Union | 0.8 | 26/06/2018 | |
| Lemons (Buddha's hands/Buddha's fingers, Citrons,) | 0110030 | European Union | 0.4 | 26/06/2018 | |
| Limes (Indian sweet limes/Palestine sweet limes, Kaffir limes, Sweet limes/mosambis, Tahiti limes, Limequats,) | 0110040 | European Union | 0.01* | 26/06/2018 | |
| Mandarins (Calamondins, Clementines, Cleopatra mandarins, Minneolas, Satsumas/clausellinas, Tangerines/dancy mandarins, Tangors, Other hybrids of Citrus reticulata, not elsewhere mentioned,) | 0110050 | European Union | 0.8 | 26/06/2018 |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Determination of eight pesticides in Lycium barbarum by LC-MS/MS and dietary riskassessment. | Food Chem | 2017 Mar 1 | 27719897 |
| Relative Toxicity of Two Aphicides to Hippodamia convergens (Coleoptera: Coccinellidae): Implications for Integrated Management of Sugarcane Aphid, Melanaphis sacchari (Hemiptera: Aphididae). | J Econ Entomol | 2017 Feb 1 | 28039423 |
| Impact of Feeding on Contaminated Prey on the Life Parameters of NesidiocorisTenuis (Hemiptera: Miridae) Adults. | J Insect Sci | 2016 Sep 30 | 27694345 |
| Determination of Sulfoxaflor in Animal Origin Foods Using Dispersive Solid-Phase Extraction and Multiplug Filtration Cleanup Method Based on Multiwalled CarbonNanotubes by Ultraperformance Liquid Chromatography/Tandem Mass Spectrometry. | J Agric Food Chem | 2016 Mar 30 | 26968095 |
| Influence of Uptake Pathways on the Stereoselective Dissipation of ChiralNeonicotinoid Sulfoxaflor in Greenhouse Vegetables. | J Agric Food Chem | 2016 Apr 6 | 26992075 |
| Utilizing relative potency factors (RPF) and threshold of toxicological concern (TTC) concepts to assess hazard and human risk assessment profiles of environmental metabolites: a case study. | Regul Toxicol Pharmacol | 2015 Mar | 25584438 |
| Stereoselective separation and pharmacokinetic dissipation of the chiralneonicotinoid sulfoxaflor in soil by ultraperformance convergencechromatography/tandem mass spectrometry. | Anal Bioanal Chem | 2014 Oct | 25168114 |
| Stereoselective determination of a novel chiral insecticide, sulfoxaflor, inbrown rice, cucumber and apple by normal-phase high-performance liquidchromatography. | Chirality | 2014 Feb | 24420841 |