≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice 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 | CC1=C(C=NN1)Cl |
|---|---|
| IUPAC Name | 4-chloro-5-methyl-1H-pyrazole |
| InChIKey | LCDKUXJKMAFCTI-UHFFFAOYSA-N |
| INCHI | 1S/C4H5ClN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7) |
| Isómeros SMILES | CC1=C(C=NN1)Cl |
| CAS alternativo | 15878-08-7,1092682-87-5 |
| Peso molecular | 116.55 |
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 | Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl chloride - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - 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 |
| Sensibilidad | Moisture sensitive |
|---|---|
| Punto de fusión (°C) | 150 - 160℃ |
| Peso molecular | 116.550 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 116.014 Da |
| Monoisotopic Mass | 116.014 Da |
| Topological Polar Surface Area | 28.700 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 66.700 |
| 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 |
K2519367