≥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)C2=CC=CC=C2)C(=O)O)Cl |
|---|---|
| IUPAC Name | 5-chloro-1-methyl-3-phenylpyrazole-4-carboxylic acid |
| InChIKey | HHJCGJQZUGPCRH-UHFFFAOYSA-N |
| INCHI | 1S/C11H9ClN2O2/c1-14-10(12)8(11(15)16)9(13-14)7-5-3-2-4-6-7/h2-6H,1H3,(H,15,16) |
| Isómeros SMILES | CN1C(=C(C(=N1)C2=CC=CC=C2)C(=O)O)Cl |
| PubChem CID | 2763768 |
| Peso molecular | 236.66 |
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 | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Pyrazole carboxylic acids and derivatives Benzene and substituted derivatives Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - Pyrazole-4-carboxylic acid or derivatives - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Punto de fusión (°C) | 176-177 |
|---|---|
| Peso molecular | 236.650 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 236.035 Da |
| Monoisotopic Mass | 236.035 Da |
| Topological Polar Surface Area | 55.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 269.000 |
| 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 |
