(4-methoxy-4-methylpentan-2-yl) 4-bromobenzenesulfonate (CHEM284663)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-28 01:55:38 UTC | ||||||||
| Update Date | 2026-08-28 01:55:38 UTC | ||||||||
| Accession Number | CHEM284663 | ||||||||
| Identification | |||||||||
| Common Name | (4-methoxy-4-methylpentan-2-yl) 4-bromobenzenesulfonate | ||||||||
| Class | Small Molecule | ||||||||
| Description | (4-methoxy-4-methylpentan-2-yl) 4-bromobenzenesulfonate belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C13H19BrO4S and an average molecular weight of 351.26 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H19BrO4S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 350.019 g/mol | ||||||||
| CAS Registry Number | 23453-98-7 | ||||||||
| IUPAC Name | (4-methoxy-4-methylpentan-2-yl) 4-bromobenzenesulfonate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(CC(C)(C)OC)OS(=O)(=O)C1=CC=C(C=C1)Br | ||||||||
| InChI Identifier | InChI=1S/C13H19BrO4S/c1-10(9-13(2,3)17-4)18-19(15,16)12-7-5-11(14)6-8-12/h5-8,10H,9H2,1-4H3 | ||||||||
| InChI Key | PMRGKKKILGALMX-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 | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
