≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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.
| Sonrisas canónicas | C1=CC(=CC=C1C#N)S(=O)(=O)C(F)(F)F |
|---|---|
| IUPAC Name | 4-(trifluoromethylsulfonyl)benzonitrile |
| InChIKey | UHCGSMMNICMDIX-UHFFFAOYSA-N |
| INCHI | 1S/C8H4F3NO2S/c9-8(10,11)15(13,14)7-3-1-6(5-12)2-4-7/h1-4H |
| Isómeros SMILES | C1=CC(=CC=C1C#N)S(=O)(=O)C(F)(F)F |
| PubChem CID | 2777824 |
| Peso molecular | 235.19 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonyl compounds |
| Alternative Parents | Benzonitriles Sulfones Trihalomethanes Nitriles Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl group - Benzonitrile - Sulfone - Sulfonyl - Trihalomethane - Nitrile - Carbonitrile - Organic oxygen compound - Halomethane - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group. |
| External Descriptors | Not available |
| Punto de fusión (°C) | 90-91° |
|---|---|
| Peso molecular | 235.190 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 234.991 Da |
| Monoisotopic Mass | 234.991 Da |
| Topological Polar Surface Area | 66.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 365.000 |
| 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 |
