[2-(4-bromophenyl)-2-oxoethyl] 4-methylbenzenesulfonate (CHEM291316)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-28 11:24:47 UTC | ||||||||
| Update Date | 2026-08-28 11:24:47 UTC | ||||||||
| Accession Number | CHEM291316 | ||||||||
| Identification | |||||||||
| Common Name | [2-(4-bromophenyl)-2-oxoethyl] 4-methylbenzenesulfonate | ||||||||
| Class | Small Molecule | ||||||||
| Description | [2-(4-bromophenyl)-2-oxoethyl] 4-methylbenzenesulfonate belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This compound has the formula C15H13BrO4S and an average molecular weight of 369.20 g/mol. It is further classified as an organic oxygen compound and an organooxygen compound. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C15H13BrO4S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 367.972 g/mol | ||||||||
| CAS Registry Number | 98475-05-9 | ||||||||
| IUPAC Name | [2-(4-bromophenyl)-2-oxoethyl] 4-methylbenzenesulfonate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C2=CC=C(C=C2)Br | ||||||||
| InChI Identifier | InChI=1S/C15H13BrO4S/c1-11-2-8-14(9-3-11)21(18,19)20-10-15(17)12-4-6-13(16)7-5-12/h2-9H,10H2,1H3 | ||||||||
| InChI Key | SZJZTKMDYAXLBJ-UHFFFAOYSA-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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| Toxicity Profile | |||||||||
| 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 | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
