≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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(=C(C=C1S(=O)(=O)C(F)(F)F)N)N |
|---|---|
| IUPAC Name | 4-(trifluoromethylsulfonyl)benzene-1,2-diamine |
| InChIKey | XHTLLPJFZIYMHD-UHFFFAOYSA-N |
| INCHI | 1S/C7H7F3N2O2S/c8-7(9,10)15(13,14)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2 |
| Isómeros SMILES | C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)N)N |
| PubChem CID | 2063462 |
| Peso molecular | 240.2 |
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 | Benzenesulfonyl compounds Sulfones Trihalomethanes Primary amines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Sulfonylaniline - Benzenesulfonyl group - Sulfone - Sulfonyl - Trihalomethane - Organic oxygen compound - Alkyl fluoride - Halomethane - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - 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 |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Punto de fusión (°C) | 109-111 |
|---|---|
| Peso molecular | 240.210 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 240.018 Da |
| Monoisotopic Mass | 240.018 Da |
| Topological Polar Surface Area | 94.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 322.000 |
| 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 |
