≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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.
| Pubchem Sid | 504769056 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769056 |
| Canonical Smiles | CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.C(F)(F)(F)S(=O)(=O)[O-] |
| IUPAC Name | trifluoromethanesulfonate;tris(4-methylphenyl)sulfanium |
| InChIKey | ZZJNLOGMYQURDL-UHFFFAOYSA-M |
| INCHI | 1S/C21H21S.CHF3O3S/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;2-1(3,4)8(5,6)7/h4-15H,1-3H3;(H,5,6,7)/q+1;/p-1 |
| Isomeric SMILES | CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.C(F)(F)(F)S(=O)(=O)[O-] |
| PubChem CID | 21863653 |
| Molecular Weight | 454.52 |
| Reaxy-Rn | 4225766 |
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 | Toluenes Sulfonyls Organosulfonic acids Methanesulfonates Trihalomethanes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations |
| Molecular Framework | Not available |
| Substituents | Trifluoromethanesulfonate - Toluene - Monocyclic benzene moiety - Benzenoid - Methanesulfonate - Organosulfonic acid - Sulfonyl - Trihalomethane - Organic oxide - Alkyl halide - Organosulfur compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Halomethane - Organic cation - Aromatic homomonocyclic 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2204697 | Certificate of Analysis | Mar 13, 2026 | T162150 |
| F2204698 | Certificate of Analysis | Mar 13, 2026 | T162150 |
| D2418319 | Certificate of Analysis | Apr 13, 2024 | T162150 |
| D2418320 | Certificate of Analysis | Apr 13, 2024 | T162150 |
| Solubility | Soluble in ethanol |
|---|---|
| Sensitivity | Light Sensitive |
| Melt Point(°C) | 105.0 to 111.0 °C |
| Molecular Weight | 454.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 454.088 Da |
| Monoisotopic Mass | 454.088 Da |
| Topological Polar Surface Area | 66.600 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 407.000 |
| 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 | 2 |
