Sodium o-[bis(3,5-dibromo-4-hydroxy-o-tolyl)hydroxymethyl]benzenesulphonate (CHEM108117)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 20:03:54 UTC | ||||||||
| Update Date | 2026-05-20 19:39:06 UTC | ||||||||
| Accession Number | CHEM108117 | ||||||||
| Identification | |||||||||
| Common Name | Sodium o-[bis(3,5-dibromo-4-hydroxy-o-tolyl)hydroxymethyl]benzenesulphonate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H15Br4NaO6S | ||||||||
| Average Molecular Mass | 738.010 g/mol | ||||||||
| Monoisotopic Mass | 733.722 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | sodium 2-[bis(3,5-dibromo-4-hydroxy-2-methylphenyl)(hydroxy)methyl]benzenesulfonate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [Na+].CC1=C(Br)C(O)=C(Br)C=C1C(O)(C1=CC(Br)=C(O)C(Br)=C1C)C1=CC=CC=C1S([O-])(=O)=O | ||||||||
| InChI Identifier | InChI=1/C21H16Br4O6S.Na/c1-9-12(7-14(22)19(26)17(9)24)21(28,11-5-3-4-6-16(11)32(29,30)31)13-8-15(23)20(27)18(25)10(13)2;/h3-8,26-28H,1-2H3,(H,29,30,31);/q;+1/p-1 | ||||||||
| InChI Key | JZPSZYZAQKDLMK-UHFFFAOYSA-M | ||||||||
| 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 | ||||||||
| Spectra | |||||||||
| Spectra |
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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 | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
