≥92% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
p-Toluenesulfonyl isocyanate undergoes palladium-catalyzed bis-allylation reaction with allylstannanes and allyl chlorides.
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)N=C=O |
|---|---|
| IUPAC Name | 4-methyl-N-(oxomethylidene)benzenesulfonamide |
| InChIKey | VLJQDHDVZJXNQL-UHFFFAOYSA-N |
| INCHI | 1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C=O |
| WGK Germany | 1 |
| RTECS | DB9032000 |
| PubChem CID | 77703 |
| UN Number | 2206 |
| Molecular Weight | 197.21 |
| Beilstein | 391287 |
| Reaxy-Rn | 391287 |
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 | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Tosyl compounds Benzenesulfonyl compounds Sulfonyl isocyanates Organosulfonic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Sulfonyl isocyanate - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2506124 | Certificate of Analysis | Aug 14, 2025 | T670393 |
| H2506125 | Certificate of Analysis | Aug 14, 2025 | T670393 |
| H2408563 | Certificate of Analysis | Aug 22, 2024 | T670393 |
| H2408565 | Certificate of Analysis | Aug 22, 2024 | T670393 |
| H2408564 | Certificate of Analysis | Aug 21, 2024 | T670393 |
| Solubility | Reacts with water. |
|---|---|
| Sensitivity | Moisture sensitive |
| Refractive Index | 1.534 |
| Flash Point(°F) | 293 °F |
| Flash Point(°C) | 110℃ |
| Boil Point(°C) | 144°C |
| Melt Point(°C) | 5°C |
| Molecular Weight | 197.210 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 197.015 Da |
| Monoisotopic Mass | 197.015 Da |
| Topological Polar Surface Area | 72.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 303.000 |
| 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 |
| 1. Xinran Cui, Yongbin Wang, Yan Zhan, Xiaoyan Chen. (2025) Development and validation of an LC-MS/MS method with precolumn derivatization for the determination of dimethoxyethyl phthalate metabolites ethylene glycol methyl ether and methoxyacetic acid in rat plasma. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, [PMID:40179615] [10.1016/j.jpba.2025.116847] |
| 2. Xing Chen, Chenyang Hu, Huidi Xu, Rui Qu, Xiaohong Hu, Jie Yang, Xiaofeng Song. (2022) Synthesized polyurethane from p-toluenesulfonyl isocyanate and epichlorohydrin via salen catalysis. POLYMERS FOR ADVANCED TECHNOLOGIES, 33 (6): (1892-1897). [PMID:] [10.1002/pat.5646] |
