≥99% 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.
| パブケム・シド | 488191185 |
|---|---|
| パブケム・シド・ウル | https://pubchem.ncbi.nlm.nih.gov/substance/488191185 |
| カノニカル・スマイル | C1=CC=C(C(=C1)C=CC(=O)O)Cl |
| IUPAC Name | (E)-3-(2-chlorophenyl)prop-2-enoic acid |
| InChIKey | KJRRTHHNKJBVBO-AATRIKPKSA-N |
| INCHI | 1S/C9H7ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+ |
| 異性体SMILES | C1=CC=C(C(=C1)/C=C/C(=O)O)Cl |
| RTECS | GD8450000 |
| 分子量 | 182.61 |
| Beilstein | 9594 |
| Reaxy-Rn | 1365198 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1365198&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 |
| 分類 | Cinnamic acids and derivatives |
| Subclass | Cinnamic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cinnamic acids |
| Alternative Parents | Styrenes Chlorobenzenes Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Cinnamic acid - Styrene - 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 |
| 説明 | This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic 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 | 日付 | 商品 |
|---|---|---|---|
 J2229142 | Certificate of Analysis | Aug 13, 2026 | C103595 |
| J2229123 | Certificate of Analysis | Aug 04, 2026 | C103595 |
| J2229128 | Certificate of Analysis | Aug 04, 2026 | C103595 |
| J2229154 | Certificate of Analysis | Aug 04, 2026 | C103595 |
| I2515631 | Certificate of Analysis | Sep 22, 2025 | C103595 |
| I2515632 | Certificate of Analysis | Sep 22, 2025 | C103595 |
| I2515637 | Certificate of Analysis | Sep 22, 2025 | C103595 |
| K2120080 | Certificate of Analysis | Sep 04, 2025 | C103595 |
| K2120083 | Certificate of Analysis | Sep 04, 2025 | C103595 |
| H1306016 | Certificate of Analysis | Mar 04, 2025 | C103595 |
| J1225053 | Certificate of Analysis | Jun 04, 2024 | C103595 |
| C23201106 | Certificate of Analysis | Oct 12, 2021 | C103595 |
| 溶解度 | Insoluble in water, soluble in methanol |
|---|---|
| 融点（°C） | 209-212°C |
| 分子量 | 182.600 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 182.013 Da |
| Monoisotopic Mass | 182.013 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 189.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
