≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CN1C(=C(C=N1)C(=O)Cl)Cl |
|---|---|
| IUPAC Name | 5-chloro-1-methylpyrazole-4-carbonyl chloride |
| InChIKey | XFDCYGXUXLYMNP-UHFFFAOYSA-N |
| INCHI | 1S/C5H4Cl2N2O/c1-9-4(6)3(2-8-9)5(7)10/h2H,1H3 |
| Isómeros SMILES | CN1C(=C(C=N1)C(=O)Cl)Cl |
| PubChem CID | 2735773 |
| Peso molecular | 179 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 Vinylogous amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Acyl chlorides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl chloride - Azole - Pyrazole - Vinylogous halide - Vinylogous amide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Acyl halide - Acyl chloride - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - 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 | Not available |
| Peso molecular | 179.000 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 177.97 Da |
| Monoisotopic Mass | 177.97 Da |
| Topological Polar Surface Area | 34.900 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 153.000 |
| 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 |
