Dithianon
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Basic Info
| Common Name | Dithianon(F05917) |
| 2D Structure | |
| FRCD ID | F05917 |
| CAS Number | 3347-22-6 |
| PubChem CID | 18771 |
| Formula | C14H4N2O2S2 |
| IUPAC Name | 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile |
| InChI Key | PYZSVQVRHDXQSL-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H |
| Canonical SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N |
| Synonyms |
Delan-col
DITHIANON
Dithianone
Delan
3347-22-6
Merkdelan
Thynon
Delan WP
Stauffer MV-119A
Delan (fungicide)
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenes |
| Alternative Parents | |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthalene - Benzodithiin - 1,4-benzodithiin - Heteroaromatic compound - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 296.318 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Complexity | 629 |
| Monoisotopic Mass | 295.971 |
| Exact Mass | 295.971 |
| XLogP | 2.8 |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| 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 |
|---|---|---|---|---|---|
| Tarragon (Aztec sweet herb, Epazote/Mexican tea/wormseed, Hyssop, Lemongrass, Mexican oregano, Nettle, Other species of the genus Urtica, not elsewhere mentioned, Russian tarragon, Stevia,) | 0256100 | European Union | 0.01* | 01/09/2008 | |
| 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 | 0.01* | 01/09/2008 | |
| Other Liliaceous Vegetables | Japan | 0.5ppm | |||
| Mandarins (Inc Clementines & Similar Hybrids) | Finland | 3mg/kg | |||
| Others (2) | 0130990 | European Union | 3 | 01/09/2008 | |
| Others (2) | 1014990 | European Union | 0.01* | 01/09/2008 | |
| Grapefruits (Natsudaidais, Shaddocks/pomelos, Sweeties/oroblancos, Tangelolos, Tangelos (except minneolas)/Ugli®, Other hybrids of Citrus paradisi, not elsewhere mentioned,) | 0110010 | European Union | 1 | 01/09/2008 | |
| (a) edible peel | 0161000 | European Union | 0.01* | 01/09/2008 | |
| Kidney | 1012040 | European Union | 0.01* | 01/09/2008 | |
| Oranges (Bergamots, Bitter oranges/sour oranges, Blood oranges, Cara caras, Chinottos, Trifoliate oranges, Other hybrids of Citrus sinensis, not elsewhere mentioned,) | 0110020 | European Union | 1 | 01/09/2008 | |
| Lemons (Buddha's hands/Buddha's fingers, Citrons,) | 0110030 | European Union | 1 | 01/09/2008 | |
| Limes (Indian sweet limes/Palestine sweet limes, Kaffir limes, Sweet limes/mosambis, Tahiti limes, Limequats,) | 0110040 | European Union | 1 | 01/09/2008 | |
| Mandarins (Calamondins, Clementines, Cleopatra mandarins, Minneolas, Satsumas/clausellinas, Tangerines/dancy mandarins, Tangors, Other hybrids of Citrus reticulata, not elsewhere mentioned,) | 0110050 | European Union | 3 | 01/09/2008 | |
| Others (2) | 0110990 | European Union | 1 | 01/09/2008 | |
| Almonds (Apricot kernels, Bitter almonds, Canarium nuts/galip nuts, Pili nuts, Okari nuts,) | 0120010 | European Union | 0.05 | 01/09/2008 | |
| Brazil nuts | 0120020 | European Union | 0.01* | 01/09/2008 | |
| Cashew nuts | 0120030 | European Union | 0.01* | 01/09/2008 | |
| Chestnuts | 0120040 | European Union | 0.01* | 01/09/2008 | |
| Coconuts (Areca nuts/betel nuts,) | 0120050 | European Union | 0.01* | 01/09/2008 | |
| Hazelnuts/cobnuts (Acorns, Filberts,) | 0120060 | European Union | 0.01* | 01/09/2008 |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Effects of Planting and Processing Modes on the Degradation of Dithianon andPyraclostrobin in Chinese Yam (Dioscorea spp.). | J Agric Food Chem | 2017 Dec 6 | 29131625 |
| Field evaluation of two risk indicators for predicting likelihood of pesticidetransport to surface water from two orchards. | Sci Total Environ | 2016 Nov 15 | 27424118 |
| Production of apple-based baby food: changes in pesticide residues. | Food Addit Contam Part A Chem Anal Control Expo Risk Assess | 2014 | 24720736 |
| Evaluation of the field dissipation of fungicides and insecticides used on fruit bearing trees in northern Italy. | J Environ Sci Health B | 2009 Feb | 19130372 |
| Interactions between yeasts, fungicides and apple fruit russeting. | FEMS Yeast Res | 2006 Dec | 17156012 |
| Developing an ecotoxicological testing standard for predatory mites in Australia: acute and sublethal effects of fungicides on Euseius victoriensis and Galendromus occidentalis (Acarina: Phytoseiidae). | J Econ Entomol | 2004 Jun | 15279268 |
| Structural and functional approach to studying pesticide side-effects on specificsoil functions. | Environ Toxicol Chem | 2003 Apr | 12685713 |
| A new spectrophotometric method for the determination of dithianon in commercial formulations and its residues in foodstuffs. | J AOAC Int | 1999 Nov-Dec | 10589480 |