Fenitrothion-d6 is the deuterium labeled Fenitrothion[1]. Fenitrothion, one of the most widely used organophosphorus pesticides, is a cholinesterase inhibiting insecticide/acaricid. Fenitrothion is widely used, as a broad-spectrum insecticide, on cotton crops, vegetables crops, fruit crops, and field crops especially paddy. Fenitrothion leads to accumulation of nitrophenols。
| Sonrisas canónicas | CC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-] |
|---|---|
| IUPAC Name | (3-methyl-4-nitrophenoxy)-sulfanylidene-bis(trideuteriomethoxy)-λ5-phosphane |
| InChIKey | ZNOLGFHPUIJIMJ-XERRXZQWSA-N |
| INCHI | 1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3/i2D3,3D3 |
| Isómeros SMILES | [2H]C([2H])([2H])OP(=S)(OC1=CC(=C(C=C1)[N+](=O)[O-])C)OC([2H])([2H])[2H] |
| CAS alternativo | 122-14-5(Unlabeled) |
| Peso molecular | 283.27 |
| Reaxy-Rn | 1887367 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1887367&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Organic thiophosphoric acids and derivatives |
| Subclass | Thiophosphoric acid esters |
| Intermediate Tree Nodes | Aryl thiophosphates |
| Direct Parent | Phenyl thiophosphates |
| Alternative Parents | Nitrotoluenes Nitrobenzenes Thiophosphate triesters Phenoxy compounds Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenyl thiophosphate - Nitrobenzene - Nitrotoluene - Phenoxy compound - Nitroaromatic compound - Thiophosphate triester - Toluene - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenyl thiophosphates. These are organothiophosphorus compounds that contain a thiophosphoric acid O-esterified with a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 G2411201 | Certificate of Analysis | Mar 22, 2024 | F353342 |
| Peso molecular | 283.270 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 283.055 Da |
| Monoisotopic Mass | 283.055 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 313.000 |
| Isotope Atom Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
