≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,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.
| Sonrisas canónicas | CS(=O)(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 4-methylsulfonyl-2-nitroaniline |
| InChIKey | NDZFWKZHVAUUTN-UHFFFAOYSA-N |
| INCHI | 1S/C7H8N2O4S/c1-14(12,13)5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3 |
| Isómeros SMILES | CS(=O)(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-] |
| PubChem CID | 89024 |
| Peso molecular | 216.22 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfonylanilines |
| Alternative Parents | Nitrobenzenes Benzenesulfonyl compounds Nitroaromatic compounds Sulfones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Sulfonylaniline - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Sulfone - Sulfonyl - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Primary amine - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as sulfonylanilines. These are compounds containing an aniline moiety, which is para-substituted by a sulfonyl group. |
| External Descriptors | Not available |
| Sensibilidad | Light sensitive |
|---|---|
| Punto de fusión (°C) | 194-196 |
| Peso molecular | 216.220 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 216.02 Da |
| Monoisotopic Mass | 216.02 Da |
| Topological Polar Surface Area | 114.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 316.000 |
| 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 |
K2517682