≥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 | 504760214 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760214 |
| Sorrisos canónicos | C1=C(C=C(C=C1Cl)Cl)CCC(=O)O |
| IUPAC Name | 3-(3,5-dichlorophenyl)propanoic acid |
| InChIKey | GQICJNXGCGRFBA-UHFFFAOYSA-N |
| INCHI | 1S/C9H8Cl2O2/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5H,1-2H2,(H,12,13) |
| SMILES isoméricas | C1=C(C=C(C=C1Cl)Cl)CCC(=O)O |
| Peso molecular | 219.07 |
| Reaxy-Rn | 6199025 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6199025&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 | Phenylpropanoids and polyketides |
| Classe | Phenylpropanoic acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanoic acids |
| Alternative Parents | Dichlorobenzenes Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-phenylpropanoic-acid - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Item |
|---|---|---|---|
 K2308263 | Certificate of Analysis | Aug 03, 2026 | D469900 |
| K2308270 | Certificate of Analysis | Aug 03, 2026 | D469900 |
| K2308271 | Certificate of Analysis | Aug 03, 2026 | D469900 |
| K2308273 | Certificate of Analysis | Aug 03, 2026 | D469900 |
| K2308279 | Certificate of Analysis | Aug 03, 2026 | D469900 |
| K2308280 | Certificate of Analysis | Aug 03, 2026 | D469900 |
| K2308284 | Certificate of Analysis | Aug 03, 2026 | D469900 |
| Ponto de fusão (°C) | 56-60 °C |
|---|---|
| Peso molecular | 219.060 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 217.99 Da |
| Monoisotopic Mass | 217.99 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 174.000 |
| 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 |
