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· · COA & SDS available for every product · Same-day shipping on in-stock items 6-oxa-3-azabicyclo[3.1.1]heptane tosylate - ≥97% , CAS No.1339953-58-0
Synonyms
1339953-58-0 | 6-Oxa-3-azabicyclo[3.1.1]heptane 4-methylbenzenesulfonate | 6-Oxa-3-azabicyclo[3.1.1]heptane4-methylbenzenesulfonate | EN300-378994 | F8888-8743 | MFCD27665413 | 4-methylbenzene-1-sulfonic acid; 6-oxa-3-azabicyclo[3.1.1]heptane | 4-methylbe
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
1339953-58-0 | 6-Oxa-3-azabicyclo[3.1.1]heptane 4-methylbenzenesulfonate | 6-Oxa-3-azabicyclo[3.1.1]heptane4-methylbenzenesulfonate | EN300-378994 | F8888-8743 | MFCD27665413 | 4-methylbenzene-1-sulfonic acid; 6-oxa-3-azabicyclo[3.1.1]heptane | 4-methylbe
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CC1=CC=C(C=C1)S(=O)(=O)O.C1C2CNCC1O2 IUPAC Name 4-methylbenzenesulfonic acid;6-oxa-3-azabicyclo[3.1.1]heptane InChIKey GQPGLNRUOSQXDM-UHFFFAOYSA-N INCHI 1S/C7H8O3S.C5H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-4-2-6-3-5(1)7-4/h2-5H,1H3,(H,8,9,10);4-6H,1-3H2 Isomeric SMILES CC1=CC=C(C=C1)S(=O)(=O)O.C1C2CNCC1O2 Molecular Weight 271.333 Reaxy-Rn 21747548 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21747548&ln=
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 → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Benzenesulfonic acids and derivatives Intermediate Tree Nodes Not available Direct Parent p-Methylbenzenesulfonates Alternative Parents Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Piperidines Morpholines Sulfonyls Organosulfonic acids Oxetanes Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Molecular Framework Not available Substituents P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Toluene - Morpholine - Oxazinane - Piperidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Oxetane - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Secondary amine - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 271.330 g/mol XLogP3 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 1 Exact Mass 271.088 Da Monoisotopic Mass 271.088 Da Topological Polar Surface Area 84.000 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 282.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 2 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 2
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