≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads 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.
| Canonical Smiles | CC(C(F)(F)F)OC1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3O2 |
|---|---|
| IUPAC Name | 3-(1,1,1-trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide |
| InChIKey | ZWKJZNQUILFRHJ-UHFFFAOYSA-N |
| INCHI | 1S/C15H11F3O4S/c1-9(15(16,17)18)21-10-6-7-14-12(8-10)22-11-4-2-3-5-13(11)23(14,19)20/h2-9H,1H3 |
| Isomeric SMILES | CC(C(F)(F)F)OC1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3O2 |
| PubChem CID | 9928081 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzoxathiins |
| Subclass | Phenoxathiins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenoxathiins |
| Alternative Parents | Diarylethers Phenol ethers Alkyl aryl ethers Oxathiins Sulfones Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenoxathiin - Diaryl ether - Phenol ether - Alkyl aryl ether - 1,4-oxathiin - Benzenoid - Sulfone - Oxacycle - Ether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenoxathiins. These are polycyclic aromatic compounds containing a phenoxathiin moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxathiin ring. |
| External Descriptors | Not available |
| Molecular Weight | 344.300 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 344.033 Da |
| Monoisotopic Mass | 344.033 Da |
| Topological Polar Surface Area | 61.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 528.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
