Bifenox
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Basic Info
| Common Name | Bifenox(F05838) |
| 2D Structure | |
| FRCD ID | F05838 |
| CAS Number | 42576-02-3 |
| PubChem CID | 39230 |
| Formula | C14H9Cl2NO5 |
| IUPAC Name | methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate |
| InChI Key | SUSRORUBZHMPCO-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3 |
| Canonical SMILES | COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] |
| Isomeric SMILES | COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] |
| Synonyms |
Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
BIFENOX
42576-02-3
Modown
Caswell No. 561AA
MC-4379
5-(2,4-Dichlorophenoxy)-2-nitrobenzoic acid methyl ester
UNII-KSB85XT26Y
Bifenox [ANSI:BSI:ISO]
CCRIS 7158
|
| 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 - Nitrobenzoate - Diaryl ether - Benzoate ester - Benzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - 1,3-dichlorobenzene - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Methyl ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organonitrogen 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 | 342.128 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Complexity | 417 |
| Monoisotopic Mass | 340.986 |
| Exact Mass | 340.986 |
| XLogP | 4.5 |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| 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 |
|---|---|---|---|---|---|
| Wheat | Korea | 0.05ppm | |||
| FRUITS, FRESH or FROZEN; TREE NUTS | 0100000 | European Union | 0.01* | 28/10/2015 | |
| Citrus fruits | 0110000 | European Union | 0.01* | 28/10/2015 | |
| Grapefruits (Natsudaidais, Shaddocks/pomelos, Sweeties/oroblancos, Tangelolos, Tangelos (except minneolas)/Ugli®, Other hybrids of Citrus paradisi, not elsewhere mentioned,) | 0110010 | European Union | 0.01* | 28/10/2015 | |
| 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* | 28/10/2015 | |
| Lemons (Buddha's hands/Buddha's fingers, Citrons,) | 0110030 | European Union | 0.01* | 28/10/2015 | |
| Limes (Indian sweet limes/Palestine sweet limes, Kaffir limes, Sweet limes/mosambis, Tahiti limes, Limequats,) | 0110040 | European Union | 0.01* | 28/10/2015 | |
| 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* | 28/10/2015 | |
| Others (2) | 0110990 | European Union | 0.01* | 28/10/2015 | |
| Tree nuts | 0120000 | European Union | 0.01* | 28/10/2015 | |
| Almonds (Apricot kernels, Bitter almonds, Canarium nuts/galip nuts, Pili nuts, Okari nuts,) | 0120010 | European Union | 0.01* | 28/10/2015 | |
| Brazil nuts | 0120020 | European Union | 0.01* | 28/10/2015 | |
| Cashew nuts | 0120030 | European Union | 0.01* | 28/10/2015 | |
| Chestnuts | 0120040 | European Union | 0.01* | 28/10/2015 | |
| Coconuts (Areca nuts/betel nuts,) | 0120050 | European Union | 0.01* | 28/10/2015 | |
| Hazelnuts/cobnuts (Acorns, Filberts,) | 0120060 | European Union | 0.01* | 28/10/2015 | |
| Macadamias | 0120070 | European Union | 0.01* | 28/10/2015 | |
| Pecans (Hickory nuts,) | 0120080 | European Union | 0.01* | 28/10/2015 | |
| Pistachios | 0120100 | European Union | 0.01* | 28/10/2015 | |
| Walnuts | 0120110 | European Union | 0.01* | 28/10/2015 |