Cyhalofop-Butyl
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Basic Info
| Common Name | Cyhalofop-Butyl(F05049) |
| 2D Structure | |
| Description | Cyhalofop-butyl is an aryloxyphenoxy propionic acid herbicide. It is a graminicide (kills grass and weeds) used for postemergence grass weed control in rice |
| FRCD ID | F05049 |
| CAS Number | 122008-85-9 |
| PubChem CID | 180089 |
| Formula | C20H20FNO4 |
| IUPAC Name | butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate |
| InChI Key | TYIYMOAHACZAMQ-CQSZACIVSA-N |
| InChI | InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1 |
| Canonical SMILES | CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F |
| Isomeric SMILES | CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F |
| Synonyms |
Cyhalofop-butyl
Cyhalofop butyl ester
122008-85-9
Clincher
Cyhalofop Butyl
Cyhalofop-butyl [ISO]
UNII-18HGV9OC6G
HSDB 7272
XDE 537
18HGV9OC6G
|
| 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 | 2-phenoxypropionic acid ester - Diphenylether - Phenoxyacetate - Diaryl ether - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organofluoride - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organohalogen 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 | 357.381 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Complexity | 483 |
| Monoisotopic Mass | 357.138 |
| Exact Mass | 357.138 |
| XLogP | 4.8 |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| 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 |
|---|---|---|---|---|---|
| Grapefruits (Natsudaidais, Shaddocks/pomelos, Sweeties/oroblancos, Tangelolos, Tangelos (except minneolas)/Ugli®, Other hybrids of Citrus paradisi, not elsewhere mentioned,) | 0110010 | European Union | 0.02* | 13/11/2014 | |
| 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 | 0.05* | 13/11/2014 | |
| Currants (black, red and white) | 0154030 | European Union | 0.02* | 13/11/2014 | |
| Elderberries (Bayberries, Buffalo berries, Che berries, Dwarf elderberries, Guelder rose berries, Hawberries, Midland hawberries, Phalsa fruits, Riberries, Rowan berries, Saskatoons/saskatoons berr... | 0154080 | European Union | 0.02* | 13/11/2014 | |
| Jerusalem artichokes (Crosnes/Chinese artichokes, Mashua, Oca, Pale-leaf sunflower, Tuberous peas,) | 0213050 | European Union | 0.02* | 13/11/2014 | |
| Parsley roots/Hamburg roots parsley (Angelica roots, Burnet saxifrage roots, Lovage roots, Nettle roots, Other species of the genus Urtica, not elsewhere mentioned, Turnip-rooted chervils,) | 0213070 | European Union | 0.02* | 13/11/2014 | |
| 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 | 0.02* | 13/11/2014 | |
| 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* | 13/11/2014 | |
| Globe artichokes (Banana flowers,) | 0270050 | European Union | 0.02* | 13/11/2014 | |
| Cultivated fungi (Common mushrooms/button mushrooms/champignons mushrooms, Corn smuts/ Mexican truffles, Enokitake/winter mushrooms, Fusarium venenatum, Horse mushrooms, Jew's ears/hirneola, Nameko... | 0280010 | European Union | 0.02* | 13/11/2014 | |
| Herbal infusions from | 0630000 | European Union | 0.1* | 13/11/2014 | |
| 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 | 0.1* | 13/11/2014 | |
| 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 | 0.1* | 13/11/2014 | |
| Turmeric/curcuma (Asafetida, Temulawak, Zedoary,) | 0840030 | European Union | 0.1* | 13/11/2014 | |
| Others (2) (Birches (trunk sap), Manna ashes (trunk sap), Maples (trunk sap), Palms (trunk sap), Palms (trunk sap), Other sugar plants,) | 0900990 | European Union | 0.02* | 13/11/2014 | |
| Coffee beans | 0620000 | European Union | 0.1* | 13/11/2014 | |
| Ginger (10) | 0840020 | European Union | 0.1* | 13/11/2014 | |
| Citrus fruits | 0110000 | European Union | 0.02* | 13/11/2014 | |
| Oranges (Bergamots, Bitter oranges/sour oranges, Blood oranges, Cara caras, Chinottos, Trifoliate oranges, Other hybrids of Citrus sinensis, not elsewhere mentioned,) | 0110020 | European Union | 0.02* | 13/11/2014 | |
| Lemons (Buddha's hands/Buddha's fingers, Citrons,) | 0110030 | European Union | 0.02* | 13/11/2014 |