Determine the necessary mass, volume, or concentration for preparing a solution.
≥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.
| Canonical Smiles | C1=C(C=NC(=C1I)OS(=O)(=O)C(F)(F)F)F |
|---|---|
| IUPAC Name | (5-fluoro-3-iodopyridin-2-yl) trifluoromethanesulfonate |
| InChIKey | FGMROSXFLPQCML-UHFFFAOYSA-N |
| INCHI | 1S/C6H2F4INO3S/c7-3-1-4(11)5(12-2-3)15-16(13,14)6(8,9)10/h1-2H |
| Isomeric SMILES | C1=C(C=NC(=C1I)OS(=O)(=O)C(F)(F)F)F |
| PubChem CID | 50989440 |
| Molecular Weight | 371 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic sulfonic acids and derivatives |
| Subclass | Organosulfonic acids and derivatives |
| Intermediate Tree Nodes | Alkanesulfonic acids and derivatives - Alkanesulfonic acids |
| Direct Parent | Trifluoromethanesulfonates |
| Alternative Parents | Polyhalopyridines 2-halopyridines Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Heteroaromatic compounds Trihalomethanes Vinyl iodides Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Iodoalkenes Fluoroalkenes Azacyclic compounds Aldimines Organopnictogen compounds Organooxygen compounds Organoiodides Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Trifluoromethanesulfonate - Polyhalopyridine - 2-halopyridine - Organosulfonic acid ester - Sulfonic acid ester - Pyridine - Heteroaromatic compound - Sulfonyl - Methanesulfonate - Trihalomethane - Azacycle - Iodoalkene - Fluoroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl iodide - Vinyl halide - Vinyl fluoride - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organofluoride - Organohalogen compound - Imine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl group. |
| External Descriptors | Not available |
| Molecular Weight | 371.050 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 370.874 Da |
| Monoisotopic Mass | 370.874 Da |
| Topological Polar Surface Area | 64.599 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 341.000 |
| 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 |