Ioxynil
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Basic Info
| Common Name | Ioxynil(F06023) |
| 2D Structure | |
| FRCD ID | F06023 |
| CAS Number | 1689-83-4 |
| PubChem CID | 15530 |
| Formula | C7H3I2NO |
| IUPAC Name | 4-hydroxy-3,5-diiodobenzonitrile |
| InChI Key | NRXQIUSYPAHGNM-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H |
| Canonical SMILES | C1=C(C=C(C(=C1I)O)I)C#N |
| Isomeric SMILES | C1=C(C=C(C(=C1I)O)I)C#N |
| Synonyms |
Ioxynil
4-Hydroxy-3,5-diiodobenzonitrile
1689-83-4
Actril
Bentrol
Cipotril
Trevespan
Certrol
Joxynil
Loxynil
|
| Classifies |
Pollutant
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - 2-halophenol - 2-iodophenol - Halobenzene - Iodobenzene - Phenol - Aryl halide - Aryl iodide - Nitrile - Carbonitrile - Organonitrogen compound - Organoiodide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 370.916 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Complexity | 176 |
| Monoisotopic Mass | 370.83 |
| Exact Mass | 370.83 |
| XLogP | 2 |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| 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 |
|---|---|---|---|---|---|
| Garlic (Twistedleaf garlic,) | 0220010 | European Union | 0.2 | 06/03/2014 | |
| Shallots (French grey shallots, Persian shallots,) | 0220030 | European Union | 0.2 | 06/03/2014 | |
| Spring onions/green onions and Welsh onions (Tree onions/Egyptian walking onions, Green garlic,) | 0220040 | European Union | 3 | 06/03/2014 | |
| Others (2) | 0220990 | European Union | 0.01* | 06/03/2014 | |
| Fruiting vegetables | 0230000 | European Union | 0.01* | 06/03/2014 | |
| (a) Solanaceae and Malvaceae | 0231000 | European Union | 0.01* | 06/03/2014 | |
| Sweet peppers/bell peppers (Chili peppers,) | 0231020 | European Union | 0.01* | 06/03/2014 | |
| 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 | 0.01* | 06/03/2014 | |
| Okra/lady's fingers | 0231040 | European Union | 0.01* | 06/03/2014 | |
| Others (2) | 0231990 | European Union | 0.01* | 06/03/2014 | |
| (b) cucurbits with edible peel | 0232000 | European Union | 0.01* | 06/03/2014 | |
| Cucumbers (Armenian cucumbers, Dosakayi/Indian curry cucumbers,) | 0232010 | European Union | 0.01* | 06/03/2014 | |
| Gherkins (Bur gherkins,) | 0232020 | European Union | 0.01* | 06/03/2014 | |
| 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 | 0.01* | 06/03/2014 | |
| Others (2) | 0232990 | European Union | 0.01* | 06/03/2014 | |
| (c) cucurbits with inedible peel | 0233000 | European Union | 0.01* | 06/03/2014 | |
| Melons (Kiwanos/horned melons,) | 0233010 | European Union | 0.01* | 06/03/2014 | |
| Pumpkins (Butternut squashes, Winter melons/winter gourds/white gourds, Winter squashes/red kuri squashes/marrows (late varieties),) | 0233020 | European Union | 0.01* | 06/03/2014 | |
| Watermelons | 0233030 | European Union | 0.01* | 06/03/2014 | |
| Others (2) | 0233990 | European Union | 0.01* | 06/03/2014 |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Assessment of phenolic herbicide toxicity and mode of action by different assays. | Environ Sci Pollut Res Int | 2016 Apr | 26695414 |
| Tissue-binding and toxicity of compounds structurally related to the herbicide dichlobenil in the mouse olfactory mucosa. | Food Chem Toxicol | 1992 Oct | 1427510 |