≥98% 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.
| Canonical Smiles | C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=NC(=C1)C(CN)(F)F |
|---|---|
| IUPAC Name | benzenesulfonic acid;2,2-difluoro-2-pyridin-2-ylethanamine |
| InChIKey | RZDXBFLRLZSAKK-UHFFFAOYSA-N |
| INCHI | 1S/C7H8F2N2.C6H6O3S/c8-7(9,5-10)6-3-1-2-4-11-6;7-10(8,9)6-4-2-1-3-5-6/h1-4H,5,10H2;1-5H,(H,7,8,9) |
| Isomeric SMILES | C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=NC(=C1)C(CN)(F)F |
| Alternate CAS | 435345-04-3 |
| PubChem CID | 78357863 |
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 | Benzenesulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonic acids and derivatives |
| Alternative Parents | Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aralkylamines Pyridines and derivatives Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Not available |
| Substituents | Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aralkylamine - Pyridine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 316.330 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 316.069 Da |
| Monoisotopic Mass | 316.069 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 311.000 |
| 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 |
