4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methyl-3-(2-methylpropane-1-sulfinyl)benzoic acid (CHEM118753)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 06:13:07 UTC | ||||||||
| Update Date | 2026-05-21 05:33:59 UTC | ||||||||
| Accession Number | CHEM118753 | ||||||||
| Identification | |||||||||
| Common Name | 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methyl-3-(2-methylpropane-1-sulfinyl)benzoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C15H15F7O3S | ||||||||
| Average Molecular Mass | 408.330 g/mol | ||||||||
| Monoisotopic Mass | 408.063 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methyl-3-(2-methylpropane-1-sulfinyl)benzoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)CS(=O)C1=C(C)C(=CC=C1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O | ||||||||
| InChI Identifier | InChI=1/C15H15F7O3S/c1-7(2)6-26(25)11-8(3)9(12(23)24)4-5-10(11)13(16,14(17,18)19)15(20,21)22/h4-5,7H,6H2,1-3H3,(H,23,24) | ||||||||
| InChI Key | NPKUTOKUMQVOQM-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 | ||||||||
| 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 | ||||||||
