Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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.
| Pubchem Sid | 504767006 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767006 |
| Canonical Smiles | CC(=O)C1=CC=C(C=C1)N2C=CC=N2 |
| IUPAC Name | 1-(4-pyrazol-1-ylphenyl)ethanone |
| InChIKey | SGXKUEXZFMNYRE-UHFFFAOYSA-N |
| INCHI | 1S/C11H10N2O/c1-9(14)10-3-5-11(6-4-10)13-8-2-7-12-13/h2-8H,1H3 |
| Isomeric SMILES | CC(=O)C1=CC=C(C=C1)N2C=CC=N2 |
| PubChem CID | 12238134 |
| Molecular Weight | 186.21 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Phenylpyrazoles Acetophenones Benzoyl derivatives Aryl alkyl ketones Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Phenylpyrazole - Acetophenone - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Sep 27, 2023 | P588443 | |
| Certificate of Analysis | Sep 27, 2023 | P588443 | |
| Certificate of Analysis | Sep 27, 2023 | P588443 | |
| Certificate of Analysis | Sep 27, 2023 | P588443 | |
| Certificate of Analysis | Sep 27, 2023 | P588443 | |
| Certificate of Analysis | Sep 27, 2023 | P588443 |
| Molecular Weight | 186.210 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 186.079 Da |
| Monoisotopic Mass | 186.079 Da |
| Topological Polar Surface Area | 34.900 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 209.000 |
| 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 |