≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | 488185851 |
|---|---|
| Canonical Smiles | CC(C)(C1=CC=C(C=C1)Cl)C(=O)O |
| IUPAC Name | 2-(4-chlorophenyl)-2-methylpropanoic acid |
| InChIKey | SSFDAZXGUKDEAH-UHFFFAOYSA-N |
| INCHI | 1S/C10H11ClO2/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h3-6H,1-2H3,(H,12,13) |
| Isomeric SMILES | CC(C)(C1=CC=C(C=C1)Cl)C(=O)O |
| Molecular Weight | 198.64 |
| Reaxy-Rn | 2094056 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2094056&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Chlorobenzenes Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| 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 |
|---|---|---|---|
 D2311556 | Certificate of Analysis | Jan 20, 2026 | C420046 |
| D2311569 | Certificate of Analysis | Jan 20, 2026 | C420046 |
| D2311571 | Certificate of Analysis | Jan 20, 2026 | C420046 |
| D2311574 | Certificate of Analysis | Jan 20, 2026 | C420046 |
| D2311582 | Certificate of Analysis | Jan 20, 2026 | C420046 |
| D2311589 | Certificate of Analysis | Jan 20, 2026 | C420046 |
| Melt Point(°C) | 124-129°C |
|---|---|
| Molecular Weight | 198.640 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 198.045 Da |
| Monoisotopic Mass | 198.045 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| 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 |
