≥95% 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 | 504767405 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767405 |
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NC(=CC=C1)C |
| IUPAC Name | 2,6-dimethylpyridine;4-methylbenzenesulfonic acid |
| InChIKey | ZXFCGHQVBSUJLX-UHFFFAOYSA-N |
| INCHI | 1S/C7H9N.C7H8O3S/c1-6-4-3-5-7(2)8-6;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,1-2H3;2-5H,1H3,(H,8,9,10) |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NC(=CC=C1)C |
| Molecular Weight | 279.35 |
| Reaxy-Rn | 6992563 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6992563&ln= |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | p-Methylbenzenesulfonates |
| Alternative Parents | Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Methylpyridines Pyridinium derivatives Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Not available |
| Substituents | P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Methylpyridine - Toluene - Pyridine - Pyridinium - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position. |
| 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 |
|---|---|---|---|
 H2328409 | Certificate of Analysis | Jun 09, 2026 | D339208 |
| H2328410 | Certificate of Analysis | Jun 09, 2026 | D339208 |
| H2328411 | Certificate of Analysis | Jun 09, 2026 | D339208 |
| H2328412 | Certificate of Analysis | Jun 09, 2026 | D339208 |
| Sensitivity | Moisture sensitive |
|---|---|
| Melt Point(°C) | 117° C |
| Molecular Weight | 279.360 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 279.093 Da |
| Monoisotopic Mass | 279.093 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 269.000 |
| 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 |
