Record Information |
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Version | 1.0 |
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Creation Date | 2016-06-03 11:42:59 UTC |
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Update Date | 2016-11-09 01:23:03 UTC |
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Accession Number | CHEM044115 |
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Identification |
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Common Name | 1-chloro-N-sodio-N-[2,3,4,5-tetrachloro-6-(2,4-dichlorophenoxy)phenyl]methanesulfonamide |
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Class | Small Molecule |
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Description | Not Available |
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Contaminant Sources | |
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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1-Chloro-N-[2,3,4,5-tetrachloro-6-(2,4-dichlorophenoxy)phenyl]methanesulphonamide | Generator | Chloro-N-[2,3,4,5-tetrachloro-6-(2,4-dichlorophenoxy)phenyl]methanesulphonamide | Generator |
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Chemical Formula | C13H6Cl7NO3S |
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Average Molecular Mass | 504.410 g/mol |
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Monoisotopic Mass | 500.789 g/mol |
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CAS Registry Number | Not Available |
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IUPAC Name | 1-chloro-N-[2,3,4,5-tetrachloro-6-(2,4-dichlorophenoxy)phenyl]methanesulfonamide |
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Traditional Name | 1-chloro-N-[2,3,4,5-tetrachloro-6-(2,4-dichlorophenoxy)phenyl]methanesulfonamide |
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SMILES | ClCS(=O)(=O)NC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1OC1=C(Cl)C=C(Cl)C=C1 |
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InChI Identifier | InChI=1S/C13H6Cl7NO3S/c14-4-25(22,23)21-12-10(19)8(17)9(18)11(20)13(12)24-7-2-1-5(15)3-6(7)16/h1-3,21H,4H2 |
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InChI Key | VVPZFZNIAYRMIO-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 | - Diphenylether
- Diaryl ether
- Sulfanilide
- 1,3-dichlorobenzene
- Phenol ether
- Phenoxy compound
- Chlorobenzene
- Halobenzene
- Aryl chloride
- Organosulfonic acid amide
- Organic sulfonic acid amide
- Aryl halide
- Aminosulfonyl compound
- Sulfonyl
- Organosulfonic acid or derivatives
- Organic sulfonic acid or derivatives
- Ether
- Organopnictogen compound
- Organonitrogen compound
- Organochloride
- Organohalogen compound
- Organooxygen compound
- Organosulfur compound
- Alkyl chloride
- Organic nitrogen compound
- Alkyl halide
- Hydrocarbon derivative
- Organic oxygen compound
- Organic oxide
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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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 | Not Available |
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Appearance | Not Available |
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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 | splash10-0udi-0201190000-331689195e7e5fd45abf | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0gw0-4509400000-4273d1b890038d149f62 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0f79-1429000000-b27ae125c1eccad20f26 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0100900000-8b7380870240fdb5843e | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03dj-0902600000-33b50fc01e44fafd9b10 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03di-6900000000-dec6f39a43d3ed3c5984 | 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) | Not Available |
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Uses/Sources | Not Available |
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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 | 13206366 |
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Kegg Compound ID | Not Available |
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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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