| 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 | CHEM002786 |
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| Identification |
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| Common Name | Diclosulam |
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| Class | Small Molecule |
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| Description | Diclosulam is a herbicide. It is primarily used for control of annual and certain perennial broadleaf weeds when applied as soil, foliar, or burndown treatments in crops such as sugar cane, peanuts and soybeans, as well as forestry applications. Diclosulam technical is very highly toxic to aquatic organisms on an acute basis. It is practically nontoxic to birds, mammals, insects, earthworms, fish and aquatic invertebrates. |
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| Contaminant Sources | - STOFF IDENT Compounds
- T3DB toxins
- ToxCast & Tox21 Chemicals
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| Contaminant Type | - Amide
- Ether
- Herbicide
- Organic Compound
- Organochloride
- Organofluoride
- Pesticide
- Synthetic Compound
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| StrongArm | MeSH | | N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro(1,2,4)triazolo(1,5-c)pyrimidine-2-sulfonamide | MeSH |
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| Chemical Formula | C13H10Cl2FN5O3S |
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| Average Molecular Mass | 406.220 g/mol |
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| Monoisotopic Mass | 404.987 g/mol |
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| CAS Registry Number | 145701-21-9 |
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| IUPAC Name | N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide |
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| Traditional Name | N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide |
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| SMILES | CCOC1=NC(F)=CC2=NC(=NN12)S(=O)(=O)NC1=C(Cl)C=CC=C1Cl |
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| InChI Identifier | InChI=1S/C13H10Cl2FN5O3S/c1-2-24-13-17-9(16)6-10-18-12(19-21(10)13)25(22,23)20-11-7(14)4-3-5-8(11)15/h3-6,20H,2H2,1H3 |
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| InChI Key | QNXAVFXEJCPCJO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1. |
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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 | Sulfanilides |
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| Direct Parent | Sulfanilides |
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| Alternative Parents | |
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| Substituents | - Sulfanilide
- Triazolopyrimidine
- 1,3-dichlorobenzene
- Alkyl aryl ether
- Chlorobenzene
- Halobenzene
- Halopyrimidine
- Aryl chloride
- Aryl fluoride
- Aryl halide
- Pyrimidine
- Organosulfonic acid amide
- Sulfonyl
- Organosulfonic acid or derivatives
- Organic sulfonic acid or derivatives
- Heteroaromatic compound
- Aminosulfonyl compound
- 1,2,4-triazole
- Triazole
- Azole
- Organoheterocyclic compound
- Azacycle
- Ether
- Organic nitrogen compound
- Organohalogen compound
- Hydrocarbon derivative
- Organic oxide
- Organochloride
- Organopnictogen compound
- Organic oxygen compound
- Organofluoride
- Organonitrogen compound
- Organooxygen compound
- Organosulfur compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic 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 | splash10-0a4i-0422900000-e8a791ea4584ee89bc8d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0c29-0962100000-2fe30fcd373946dc20f4 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0bt9-0910000000-3643a7867fe91f7340b6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0ufr-1943800000-f397467eb96bdf31c70a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00dj-2290000000-8c0efa517a6a363919ac | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03kc-9122000000-4ebfa0ddce63d2486acb | 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 | 3081304 |
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| Kegg Compound ID | C18821 |
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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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