≥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.
| Pubchem Sid | 504760029 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760029 |
| Canonical Smiles | COC(=O)CC(=O)C1=CC=C(C=C1)Cl |
| IUPAC Name | methyl 3-(4-chlorophenyl)-3-oxopropanoate |
| InChIKey | OIPOJEDRCKVDJK-UHFFFAOYSA-N |
| INCHI | 1S/C10H9ClO3/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3 |
| Isomeric SMILES | COC(=O)CC(=O)C1=CC=C(C=C1)Cl |
| WGK Germany | 3 |
| Molecular Weight | 212.63 |
| Reaxy-Rn | 2367095 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2367095&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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Benzoyl derivatives Aryl alkyl ketones Fatty acid esters Chlorobenzenes Beta-keto acids and derivatives Aryl chlorides 1,3-dicarbonyl compounds Methyl esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Beta-keto acid - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Keto acid - 1,3-dicarbonyl compound - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic homomonocyclic 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 |
|---|---|---|---|
 F2210534 | Certificate of Analysis | Mar 04, 2025 | M168684 |
| F2210535 | Certificate of Analysis | Mar 04, 2025 | M168684 |
| F2210536 | Certificate of Analysis | Mar 04, 2025 | M168684 |
| F2210537 | Certificate of Analysis | Mar 04, 2025 | M168684 |
| C2203149 | Certificate of Analysis | Dec 17, 2024 | M168684 |
| C2203174 | Certificate of Analysis | Dec 17, 2024 | M168684 |
| C2203160 | Certificate of Analysis | Oct 16, 2021 | M168684 |
| C2203175 | Certificate of Analysis | Oct 16, 2021 | M168684 |
| Melt Point(°C) | 42-46 °C |
|---|---|
| Molecular Weight | 212.630 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 212.024 Da |
| Monoisotopic Mass | 212.024 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 219.000 |
| 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 |
