≥98% 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.
| Canonical Smiles | CS(=O)(=O)C1=CC(=C(C=C1)N2CCNCC2)F |
|---|---|
| IUPAC Name | 1-(2-fluoro-4-methylsulfonylphenyl)piperazine |
| InChIKey | CMYAOPCJWBOQNZ-UHFFFAOYSA-N |
| INCHI | 1S/C11H15FN2O2S/c1-17(15,16)9-2-3-11(10(12)8-9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3 |
| Isomeric SMILES | CS(=O)(=O)C1=CC(=C(C=C1)N2CCNCC2)F |
| PubChem CID | 2782730 |
| Molecular Weight | 258.32 |
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 | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Sulfonylanilines Benzenesulfonyl compounds Dialkylarylamines Fluorobenzenes Aryl fluorides Sulfones Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Sulfonylaniline - Benzenesulfonyl group - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Sulfonyl - Sulfone - Tertiary amine - Azacycle - Secondary aliphatic amine - Secondary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Melt Point(°C) | 115 |
|---|---|
| Molecular Weight | 258.310 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 258.084 Da |
| Monoisotopic Mass | 258.084 Da |
| Topological Polar Surface Area | 57.800 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 349.000 |
| 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 |
