Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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.
| Pubchem Sid | 504765913 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504765913 |
| Canonical Smiles | C1=CC(=CN=C1)OS(=O)(=O)C(F)(F)F |
| IUPAC Name | pyridin-3-yl trifluoromethanesulfonate |
| InChIKey | ZRNDSLLIAOLRJS-UHFFFAOYSA-N |
| INCHI | 1S/C6H4F3NO3S/c7-6(8,9)14(11,12)13-5-2-1-3-10-4-5/h1-4H |
| Isomeric SMILES | C1=CC(=CN=C1)OS(=O)(=O)C(F)(F)F |
| PubChem CID | 11031579 |
| Molecular Weight | 227.16 |
| Reaxy-Rn | 5023785 |
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 | 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 | Sulfonic acid esters Pyridines and derivatives Organosulfonic acid esters Sulfonyls Methanesulfonates Heteroaromatic compounds Trihalomethanes Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Trifluoromethanesulfonate - Pyridine - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Sulfonyl - Heteroaromatic compound - Trihalomethane - Azacycle - Organoheterocyclic compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - 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 |
| Sensitivity | Air Sensitive,Heat Sensitive |
|---|---|
| Refractive Index | 1.44 |
| Flash Point(°C) | 110 °C |
| Molecular Weight | 227.160 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 226.986 Da |
| Monoisotopic Mass | 226.986 Da |
| Topological Polar Surface Area | 64.599 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 282.000 |
| 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 |