≥97%(T) 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 | 488191081 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191081 |
| Canonical Smiles | C1=CC(=C(C=C1[N+](=O)[O-])C=CC(=O)O)Cl |
| IUPAC Name | (E)-3-(2-chloro-5-nitrophenyl)prop-2-enoic acid |
| InChIKey | IHTLKLSRRSWIGD-DAFODLJHSA-N |
| INCHI | 1S/C9H6ClNO4/c10-8-3-2-7(11(14)15)5-6(8)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+ |
| Isomeric SMILES | C1=CC(=C(C=C1[N+](=O)[O-])/C=C/C(=O)O)Cl |
| Molecular Weight | 227.6 |
| Beilstein | 9607 |
| Reaxy-Rn | 1972431 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1972431&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 |
| Class | Cinnamic acids and derivatives |
| Subclass | Cinnamic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cinnamic acids |
| Alternative Parents | Nitrobenzenes Styrenes Nitroaromatic compounds Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Cinnamic acid - Nitrobenzene - Nitroaromatic compound - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | 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 | Date | Item |
|---|---|---|---|
 J2114149 | Certificate of Analysis | Jul 10, 2025 | C153836 |
| J2114150 | Certificate of Analysis | Jul 10, 2025 | C153836 |
| J2114151 | Certificate of Analysis | Jul 10, 2025 | C153836 |
| L2412020 | Certificate of Analysis | Jul 28, 2021 | C153836 |
| Melt Point(°C) | 221 °C |
|---|---|
| Molecular Weight | 227.600 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 226.999 Da |
| Monoisotopic Mass | 226.999 Da |
| Topological Polar Surface Area | 83.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 286.000 |
| 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 |
