Aclonifen
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Basic Info
| Common Name | Aclonifen(F06245) |
| 2D Structure | |
| FRCD ID | F06245 |
| CAS Number | 74070-46-5 |
| PubChem CID | 92389 |
| Formula | C12H9ClN2O3 |
| IUPAC Name | 2-chloro-6-nitro-3-phenoxyaniline |
| InChI Key | DDBMQDADIHOWIC-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2 |
| Canonical SMILES | C1=CC=C(C=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])N)Cl |
| Isomeric SMILES | C1=CC=C(C=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])N)Cl |
| Synonyms |
2-Chloro-6-nitro-3-phenoxyaniline
Aclonifen
74070-46-5
Bandur
Challenge
Benzenamine, 2-chloro-6-nitro-3-phenoxy-
Aclonifen [BSI:ISO]
CME 127
2-Chloro-6-nitro-3-phenoxybenzenamine
UNII-1762RDA835
|
| 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 - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Primary amine - Organic zwitterion - Organic oxide - 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 | 264.665 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Complexity | 292 |
| Monoisotopic Mass | 264.03 |
| Exact Mass | 264.03 |
| XLogP | 3.8 |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| 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 |
|---|---|---|---|---|---|
| FRUITS, FRESH or FROZEN; TREE NUTS | 0100000 | European Union | 0.01* | 07/05/2017 | |
| Citrus fruits | 0110000 | European Union | 0.01* | 07/05/2017 | |
| Grapefruits (Natsudaidais, Shaddocks/pomelos, Sweeties/oroblancos, Tangelolos, Tangelos (except minneolas)/Ugli®, Other hybrids of Citrus paradisi, not elsewhere mentioned,) | 0110010 | European Union | 0.01* | 07/05/2017 | |
| Lupins/lupini beans | 0300040 | European Union | 0.01* | 07/05/2017 | |
| 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* | 07/05/2017 | |
| Lemons (Buddha's hands/Buddha's fingers, Citrons,) | 0110030 | European Union | 0.01* | 07/05/2017 | |
| Limes (Indian sweet limes/Palestine sweet limes, Kaffir limes, Sweet limes/mosambis, Tahiti limes, Limequats,) | 0110040 | European Union | 0.01* | 07/05/2017 | |
| Mandarins (Calamondins, Clementines, Cleopatra mandarins, Minneolas, Satsumas/clausellinas, Tangerines/dancy mandarins, Tangors, Other hybrids of Citrus reticulata, not elsewhere mentioned,) | 0110050 | European Union | 0.01* | 07/05/2017 | |
| Others (2) | 0110990 | European Union | 0.01* | 07/05/2017 | |
| Tree nuts | 0120000 | European Union | 0.01* | 07/05/2017 | |
| Almonds (Apricot kernels, Bitter almonds, Canarium nuts/galip nuts, Pili nuts, Okari nuts,) | 0120010 | European Union | 0.01* | 07/05/2017 | |
| Brazil nuts | 0120020 | European Union | 0.01* | 07/05/2017 | |
| Cashew nuts | 0120030 | European Union | 0.01* | 07/05/2017 | |
| Chestnuts | 0120040 | European Union | 0.01* | 07/05/2017 | |
| Coconuts (Areca nuts/betel nuts,) | 0120050 | European Union | 0.01* | 07/05/2017 | |
| Hazelnuts/cobnuts (Acorns, Filberts,) | 0120060 | European Union | 0.01* | 07/05/2017 | |
| Macadamias | 0120070 | European Union | 0.01* | 07/05/2017 | |
| Pecans (Hickory nuts,) | 0120080 | European Union | 0.01* | 07/05/2017 | |
| Pistachios | 0120100 | European Union | 0.01* | 07/05/2017 | |
| Walnuts | 0120110 | European Union | 0.01* | 07/05/2017 |