Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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 8 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504756084 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756084 |
| Sonrisas canónicas | CCCCCCCCN1C(=O)C(=C(S1)Cl)Cl |
| IUPAC Name | 4,5-dichloro-2-octyl-1,2-thiazol-3-one |
| InChIKey | PORQOHRXAJJKGK-UHFFFAOYSA-N |
| INCHI | 1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3 |
| Isómeros SMILES | CCCCCCCCN1C(=O)C(=C(S1)Cl)Cl |
| RTECS | NX8157075 |
| Peso molecular | 282.22 |
| Reaxy-Rn | 1110842 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1110842&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 | Organohalogen compounds |
| Clase | Aryl halides |
| Subclass | Aryl chlorides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl chlorides |
| Alternative Parents | Vinylogous halides Thiazoles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl chloride - Azole - Thiazole - Vinylogous halide - Heteroaromatic compound - Lactam - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional group. |
| External Descriptors | organochlorine compound - 1,2-thiazole |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Mar 09, 2026 | D155452 | |
| Certificate of Analysis | Mar 09, 2026 | D155452 | |
| Certificate of Analysis | Mar 09, 2026 | D155452 | |
| Certificate of Analysis | Dec 12, 2025 | D155452 | |
| Certificate of Analysis | May 12, 2025 | D155452 | |
| Certificate of Analysis | May 12, 2025 | D155452 | |
| Certificate of Analysis | May 12, 2025 | D155452 | |
| Certificate of Analysis | May 12, 2025 | D155452 | |
| Certificate of Analysis | May 12, 2025 | D155452 | |
| Certificate of Analysis | Feb 07, 2025 | D155452 | |
| Certificate of Analysis | Feb 07, 2025 | D155452 | |
| Certificate of Analysis | Oct 18, 2022 | D155452 | |
| Certificate of Analysis | Jan 20, 2022 | D155452 | |
| Certificate of Analysis | Jan 20, 2022 | D155452 | |
| Certificate of Analysis | Jan 20, 2022 | D155452 | |
| Certificate of Analysis | Jan 20, 2022 | D155452 | |
| Certificate of Analysis | Jan 20, 2022 | D155452 | |
| Certificate of Analysis | Jan 20, 2022 | D155452 |
| Solubilidad | Soluble in methanol |
|---|---|
| Sensibilidad | Air sensitive;light sensitive |
| Punto de fusión (°C) | 42 °C |
| Peso molecular | 282.200 g/mol |
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 281.041 Da |
| Monoisotopic Mass | 281.041 Da |
| Topological Polar Surface Area | 45.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 281.000 |
| 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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