| Record Information |
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| Version | 1.0 |
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| Creation Date | 2013-04-25 07:56:51 UTC |
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| Update Date | 2016-11-09 01:08:58 UTC |
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| Accession Number | CHEM002785 |
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| Identification |
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| Common Name | Diclofop-methyl |
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| Class | Small Molecule |
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| Description | Diclofop-methyl is a polycyclic alkanoic acid herbicide. Diclofop-methyl undergoes hydrolysis to form diclofop-acid a compound that also exhibits herbicidal properties. Diclofop-methyl was registered in Canada in 1977 and is sold under the tradename Hoe-Grass. Diclofop-methyl is used for postemergence control of wild oats, wild millets, and other annual grass weeds in wheat, barley, rye, red fescue, and broad-leaved crops such as soya beans, sugar beet, flax, legumes, potatoes, and cucumbers. Diclofop-methyl is a selective systemic herbicide that is used primarily in the prairies. It destroys the cell membrane, prevents the translocation of assimilates to the roots, reduces the chlorophyll content, and inhibits photosynthesis and meristem activity. |
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| Contaminant Sources | - Clean Air Act Chemicals
- HPV EPA Chemicals
- My Exposome Chemicals
- STOFF IDENT Compounds
- T3DB toxins
- ToxCast & Tox21 Chemicals
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| Contaminant Type | - Ester
- Ether
- Herbicide
- Organic Compound
- Organochloride
- Pesticide
- Synthetic Compound
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Dichlofopmethyl | MeSH | | Dichlorfop-methyl | MeSH | | Methyl dichlorfop | MeSH | | Illoxan | MeSH |
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| Chemical Formula | C16H14Cl2O4 |
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| Average Molecular Mass | 341.186 g/mol |
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| Monoisotopic Mass | 340.027 g/mol |
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| CAS Registry Number | 51338-27-3 |
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| IUPAC Name | methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate |
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| Traditional Name | diclofop methyl |
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| SMILES | COC(=O)C(C)OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1 |
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| InChI Identifier | InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3 |
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| InChI Key | BACHBFVBHLGWSL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | 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. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Diphenylethers |
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| Direct Parent | Diphenylethers |
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| Alternative Parents | |
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| Substituents | - 2-phenoxypropionic acid ester
- Diphenylether
- Phenoxyacetate
- Diaryl ether
- Phenoxy compound
- Phenol ether
- 1,3-dichlorobenzene
- Alkyl aryl ether
- Chlorobenzene
- Halobenzene
- Aryl chloride
- Aryl halide
- Methyl ester
- Carboxylic acid ester
- Ether
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Organohalogen compound
- Organochloride
- Organooxygen compound
- Organic oxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Exogenous |
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| Cellular Locations | |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Solid |
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| Appearance | White powder. |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-1029000000-b67575baae00dac25937 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-4194000000-552f6b7b62cf0eeffbdb | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0kxs-8980000000-f7e0536ac6d7483690af | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0019000000-082b61cc46d498b7451b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0zfr-0279000000-53ebee3b167d968d7466 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0zfr-2890000000-6f52cdbefb3cbd54aca7 | Spectrum | | MS | Mass Spectrum (Electron Ionization) | splash10-0zfu-5973000000-de9e4da22937b7ba7a9c | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | No indication of carcinogenicity to humans (not listed by IARC). |
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| Uses/Sources | This is a man-made compound that is used as a pesticide. |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 39985 |
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| Kegg Compound ID | C11021 |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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