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Basic Description
| Synonyms | MFCD00007560 | FT-0634908 | NSC18016 | NSC-18016 | EINECS 222-672-6 | AKOS006222794 | SCHEMBL2734239 | .beta.-Chloroethylmethanesulfonate | BS-16652 | 2-CHLOROETHYL METHANESULFONATE | DTXSID20189220 | 2-Chloroethylmethanesulfonate, puriss | AI3-26395 | C2 |
|---|---|
| Specifications & Purity | ≥98%(GC) |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Organic acids and derivatives
| 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 Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| 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 - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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 | Not available |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488182526 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182526 |
| IUPAC Name | 2-chloroethyl methanesulfonate |
| INCHI | InChI=1S/C3H7ClO3S/c1-8(5,6)7-3-2-4/h2-3H2,1H3 |
| InChIKey | FMMYTRQXHORTCU-UHFFFAOYSA-N |
| Smiles | CS(=O)(=O)OCCCl |
| Isomeric SMILES | CS(=O)(=O)OCCCl |
| WGK Germany | 3 |
| RTECS | KK1960000 |
| Molecular Weight | 158.6 |
| Beilstein | 4(4)12 |
| Reaxy-Rn | 1754022 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754022&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G23051092 |
Certificate of Analysis | Apr 08, 2025 | C138729 |
| G23051093 |
Certificate of Analysis | Apr 08, 2025 | C138729 |
| G2305695 |
Certificate of Analysis | Apr 08, 2025 | C138729 |
| G2305715 |
Certificate of Analysis | Apr 08, 2025 | C138729 |
| G2305714 |
Certificate of Analysis | Apr 08, 2025 | C138729 |
| D1726100 |
Certificate of Analysis | Nov 14, 2022 | C138729 |
| C2330228 |
Certificate of Analysis | Nov 14, 2022 | C138729 |
Chemical and Physical Properties
| Refractive Index | 1.46 |
|---|---|
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 113 °C |
| Boil Point(°C) | 124 °C/10 mmHg |
| Melt Point(°C) | 6°C(lit.) |
| Molecular Weight | 158.600 g/mol |
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 157.98 Da |
| Monoisotopic Mass | 157.98 Da |
| Topological Polar Surface Area | 51.800 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 133.000 |
| 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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