≥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 | 488188843 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188843 |
| 정식 스마일 | COC1=CC=C(C=C1)C(=O)CCCl |
| IUPAC Name | 3-chloro-1-(4-methoxyphenyl)propan-1-one |
| InChIKey | FJBUZSAECLLZOL-UHFFFAOYSA-N |
| INCHI | 1S/C10H11ClO2/c1-13-9-4-2-8(3-5-9)10(12)6-7-11/h2-5H,6-7H2,1H3 |
| 이성체 SMILES | COC1=CC=C(C=C1)C(=O)CCCl |
| 분자량 | 198.65 |
| Reaxy-Rn | 2047395 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047395&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 |
| 분류 | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Phenoxy compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Phenol ether - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Organic oxide - Organohalogen compound - Organochloride - Hydrocarbon derivative - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound |
| 설명 | 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 | 날짜 | 항목 |
|---|---|---|---|
 D1717101 | Certificate of Analysis | Dec 05, 2024 | C140247 |
| C2311864 | Certificate of Analysis | Jan 05, 2023 | C140247 |
| C2311865 | Certificate of Analysis | Jan 05, 2023 | C140247 |
| C2311866 | Certificate of Analysis | Jan 05, 2023 | C140247 |
| C2311868 | Certificate of Analysis | Jan 05, 2023 | C140247 |
| C2313148 | Certificate of Analysis | Jan 05, 2023 | C140247 |
| C2313149 | Certificate of Analysis | Jan 05, 2023 | C140247 |
| C2313150 | Certificate of Analysis | Jan 05, 2023 | C140247 |
| C2313151 | Certificate of Analysis | Jan 05, 2023 | C140247 |
| 용해성 | Soluble in Methanol |
|---|---|
| 녹는점(°C) | 61.0-65.0°C |
| 분자량 | 198.640 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 198.045 Da |
| Monoisotopic Mass | 198.045 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 162.000 |
| 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 |
