≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1(OC2=C(C(=CC=C2)OS(=O)(=O)C(F)(F)F)C(=O)O1)C |
|---|---|
| InChIKey | WSWXKNDYQMEEKL-UHFFFAOYSA-N |
| INCHI | 1S/C11H9F3O6S/c1-10(2)18-6-4-3-5-7(8(6)9(15)19-10)20-21(16,17)11(12,13)14/h3-5H,1-2H3 |
| Isómeros SMILES | CC1(OC2=C(C(=CC=C2)OS(=O)(=O)C(F)(F)F)C(=O)O1)C |
| Peso molecular | 326.25 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzodioxanes |
| Subclass | Benzo-1,3-dioxanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzo-1,3-dioxanes |
| Alternative Parents | Trifluoromethanesulfonates Ketals Benzenoids Organosulfonic acid esters Sulfonic acid esters Methanesulfonates Sulfonyls Lactones Trihalomethanes Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Alkyl fluorides Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzo-1,3-dioxane - Trifluoromethanesulfonate - Ketal - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxylic acid ester - Lactone - Trihalomethane - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Oxacycle - Alkyl halide - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Halomethane - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzo-1,3-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,3-dioxane ring. |
| External Descriptors | Not available |
| Punto de ebullición (°C) | 430.6±45.0°C(Predicted) |
|---|---|
| Punto de fusión (°C) | 115-117 °C |
| Peso molecular | 326.250 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 326.007 Da |
| Monoisotopic Mass | 326.007 Da |
| Topological Polar Surface Area | 87.300 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 521.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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