≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged 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 | CN1C(=NN(C1=O)C(=O)[N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)OC.[Na+] |
|---|---|
| IUPAC Name | sodium;(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)-[2-(trifluoromethoxy)phenyl]sulfonylazanide |
| InChIKey | UOUXAYAIONPXDH-UHFFFAOYSA-M |
| INCHI | 1S/C12H11F3N4O6S.Na/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15;/h3-6H,1-2H3,(H,17,20);/q;+1/p-1 |
| Isomeric SMILES | CN1C(=NN(C1=O)C(=O)[N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)OC.[Na+] |
| Alternate CAS | 181274-17-9 |
| MeSH Entry Terms | MKH 6562 |
| Molecular Weight | 418.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Benzenesulfonyl compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers Sulfonylureas Triazolines Heteroaromatic compounds Organosulfonic acids and derivatives Triazoles Sulfonyls Trihalomethanes Organic metal halides Azacyclic compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organofluorides Organopnictogen compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Sulfonylurea - Azole - 1,2,4-triazole - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Triazoline - Trihalomethane - Organoheterocyclic compound - Organic alkali metal salt - Organic metal halide - Azacycle - Ether - Organic nitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Halomethane - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic 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 | Amide herbicides |
| Molecular Weight | 418.280 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 4 |
| Exact Mass | 418.017 Da |
| Monoisotopic Mass | 418.017 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 711.000 |
| 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 |
