Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥95% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,Room temperature Ships Normal 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 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | -0.5 |
|---|
| Pubchem Sid | 488179711 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488179711 |
| Canonical Smiles | CS(=O)(=O)OCCCCOS(=O)(=O)C |
| IUPAC Name | 4-methylsulfonyloxybutyl methanesulfonate |
| InChIKey | COVZYZSDYWQREU-UHFFFAOYSA-N |
| INCHI | 1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3 |
| Isomeric SMILES | CS(=O)(=O)OCCCCOS(=O)(=O)C |
| RTECS | EK1750000 |
| UN Number | 2811 |
| Packing Group | I |
| Molecular Weight | 246.3 |
| Beilstein | 1791786 |
| Reaxy-Rn | 1791786 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1791786&ln= |
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 | Organic acids and derivatives |
| Class | Organic sulfonic acids and derivatives |
| Subclass | Organosulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organosulfonic acid esters |
| Alternative Parents | Sulfonic acid esters Sulfonyls Methanesulfonates Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Organosulfonic acid ester - Sulfonic acid ester - Sulfonyl - Methanesulfonate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organosulfonic acid esters. These are esters of sulfonic acid, which have the general structure RS(=O)2OR' (R,R' = organyl, not H). |
| External Descriptors | methanesulfonate ester |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Mar 23, 2023 | B573218 | |
| Certificate of Analysis | Mar 23, 2023 | B573218 | |
| Certificate of Analysis | Mar 23, 2023 | B573218 | |
| Certificate of Analysis | Mar 23, 2023 | B573218 | |
| Certificate of Analysis | Mar 23, 2023 | B573218 | |
| Certificate of Analysis | Mar 23, 2023 | B573218 | |
| Certificate of Analysis | Mar 23, 2023 | B573218 | |
| Certificate of Analysis | Mar 23, 2023 | B573218 | |
| Certificate of Analysis | Mar 23, 2023 | B573218 |
| Sensitivity | Sensitive to humidity |
|---|---|
| Melt Point(°C) | 114.0-118.0°C |
| Molecular Weight | 246.300 g/mol |
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 246.023 Da |
| Monoisotopic Mass | 246.023 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 293.000 |
| 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 |
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