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3-(4-Methylbenzenesulfonyl)pyrrolidine - ≥95% , CAS No.101768-39-2
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
Shipped In
Normal
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥95%
Nombres e identificadores
| Sonrisas canónicas | CC1=CC=C(C=C1)S(=O)(=O)C2CCNC2 |
|---|---|
| IUPAC Name | 3-(4-methylphenyl)sulfonylpyrrolidine |
| InChIKey | JGOXOHKKEMNLBX-UHFFFAOYSA-N |
| INCHI | 1S/C11H15NO2S/c1-9-2-4-10(5-3-9)15(13,14)11-6-7-12-8-11/h2-5,11-12H,6-8H2,1H3 |
| Peso molecular | 225.31 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
- Clase Benzene and substituted derivatives
- Subclass Toluenes
- Clase Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tosyl compounds |
| Alternative Parents | Benzenesulfonyl compounds Sulfones Pyrrolidines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Tosyl compound - Benzenesulfonyl group - Pyrrolidine - Sulfone - Sulfonyl - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom). |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
| Peso molecular | 225.310 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 225.082 Da |
| Monoisotopic Mass | 225.082 Da |
| Topological Polar Surface Area | 54.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 299.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Calculadoras de soluciones
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