Flumetralin
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Basic Info
Common Name | Flumetralin(F06280) |
2D Structure | |
FRCD ID | F06280 |
CAS Number | 62924-70-3 |
PubChem CID | 62210 |
Formula | C16H12ClF4N3O4 |
IUPAC Name | N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline |
InChI Key | PWNAWOCHVWERAR-UHFFFAOYSA-N |
InChI | InChI=1S/C16H12ClF4N3O4/c1-2-22(8-10-11(17)4-3-5-12(10)18)15-13(23(25)26)6-9(16(19,20)21)7-14(15)24(27)28/h3-7H,2,8H2,1H3 |
Canonical SMILES | CCN(CC1=C(C=CC=C1Cl)F)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Isomeric SMILES | CCN(CC1=C(C=CC=C1Cl)F)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Synonyms | FLUMETRALIN 62924-70-3 Flumetraline Prime+ Flumetalin Premier Flumetralin [BSI:ISO] UNII-FF3TSN8UV2 Flumetraline [ISO-French] CGA-41065 |
Classifies | Pesticide |
Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
Kingdom | Organic compounds |
Superclass | Benzenoids |
Class | Benzene and substituted derivatives |
Subclass | Phenylmethylamines |
Intermediate Tree Nodes | Not available |
Direct Parent | Phenylbenzamines |
Alternative Parents |
|
Molecular Framework | Aromatic homomonocyclic compounds |
Substituents | Phenylbenzamine - Dinitroaniline - Trifluoromethylbenzene - Nitrobenzene - Benzylamine - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl fluoride - Aryl halide - Organic nitro compound - C-nitro compound - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organopnictogen compound - Aromatic homomonocyclic compound |
Description | This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine. |
Properties
Property Name | Property Value |
---|---|
Molecular Weight | 421.733 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 4 |
Complexity | 548 |
Monoisotopic Mass | 421.045 |
Exact Mass | 421.045 |
XLogP | 5.2 |
Formal Charge | 0 |
Heavy Atom Count | 28 |
Defined Atom Stereocenter Count | 0 |
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 |
---|---|---|---|---|---|
Brazil nuts | 0120020 | European Union | 0.01* | 26/04/2016 | |
Coconuts (Areca nuts/betel nuts,) | 0120050 | European Union | 0.01* | 26/04/2016 | |
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 | 0.01* | 26/04/2016 | |
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 | 0.01* | 26/04/2016 | |
Spring onions/green onions and Welsh onions (Tree onions/Egyptian walking onions, Green garlic,) | 0220040 | European Union | 0.01* | 26/04/2016 | |
Tomatoes (Alkekengi/Chinese lanterns/ground cherries, Cape gooseberries, Cherry tomatoes, Dwarf Cape gooseberries/strawberry tomatoes, Gojiberries/wolfberries, Gojiberries/wolfberries, Litchi tomat... | 0231010 | European Union | 0.01* | 26/04/2016 | |
Purslanes (Agretti, Glassworts/samphires, Rock samphires, Sea asters, Sea lavenders, Winter purslanes/miner's lettuces, Karkallas/Hottentot figs/Iceplant leaves,) | 0252020 | European Union | 0.01* | 26/04/2016 | |
Celery leaves (Angelica (leaves and stems), Burnet, Caraway leaves, Coriander leaves, Culantro/false coriander leaves, Dill leaves, Fennel leaves, Fenugreek leaves, Herb of grace/rue, Lovage leaves... | 0256030 | European Union | 0.01* | 26/04/2016 | |
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 | 0.01* | 26/04/2016 | |
Wild fungi (Ceps/porcino mushrooms, Chanterelles, Hedgehog mushrooms, Horns of plenty/black trumpets, Morels, Périgord black truffles, Piemont white truffles, Saint George's mushrooms, Scotch bonne... | 0280020 | European Union | 0.01* | 26/04/2016 | |
Beans (Azuki beans, Black eyed peas/cowpeas, Broad beans/fava beans/horse beans/tic beans, Borlotti beans/cannelini beans/common beans/flageolets/French beans/slicing beans/snap beans, Ervils/lenti... | 0300010 | European Union | 0.01* | 26/04/2016 | |
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* | 26/04/2016 | |
Sugar beet roots | 0900010 | European Union | 0.01* | 26/04/2016 | |
Others (2) (Birches (trunk sap), Manna ashes (trunk sap), Maples (trunk sap), Palms (trunk sap), Palms (trunk sap), Other sugar plants,) | 0900990 | European Union | 0.01* | 26/04/2016 | |
FRUITS, FRESH or FROZEN; TREE NUTS | 0100000 | European Union | 0.01* | 26/04/2016 | |
Citrus fruits | 0110000 | European Union | 0.01* | 26/04/2016 | |
Oranges (Bergamots, Bitter oranges/sour oranges, Blood oranges, Cara caras, Chinottos, Trifoliate oranges, Other hybrids of Citrus sinensis, not elsewhere mentioned,) | 0110020 | European Union | 0.01* | 26/04/2016 | |
Lemons (Buddha's hands/Buddha's fingers, Citrons,) | 0110030 | European Union | 0.01* | 26/04/2016 | |
Limes (Indian sweet limes/Palestine sweet limes, Kaffir limes, Sweet limes/mosambis, Tahiti limes, Limequats,) | 0110040 | European Union | 0.01* | 26/04/2016 | |
Okra/lady's fingers | 0231040 | European Union | 0.01* | 26/04/2016 |
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