2-[(4-Chlorobenzyl)sulfonyl]-3-[3,5-bis(trifluoromethyl)anilino]acrylonitrile (CHEM060008)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 02:01:23 UTC | ||||||||
| Update Date | 2026-04-03 02:01:23 UTC | ||||||||
| Accession Number | CHEM060008 | ||||||||
| Identification | |||||||||
| Common Name | 2-[(4-Chlorobenzyl)sulfonyl]-3-[3,5-bis(trifluoromethyl)anilino]acrylonitrile | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[(4-Chlorobenzyl)sulfonyl]-3-[3,5-bis(trifluoromethyl)anilino]acrylonitrile belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C18H11Cl1F6N2O2S1. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C18H11Cl1F6N2O2S1 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 468.013 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (E)-3-[3,5-bis(trifluoromethyl)anilino]-2-[(4-chlorophenyl)methylsulfonyl]prop-2-enenitrile | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C18H11ClF6N2O2S/c19-14-3-1-11(2-4-14)10-30(28,29)16(8-26)9-27-15-6-12(17(20,21)22)5-13(7-15)18(23,24)25/h1-7,9,27H,10H2/b16-9+ | ||||||||
| InChI Key | XLGVGEWLXZCBCH-CXUHLZMHSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
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| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
