≥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.
Product Application:
trans-4-Nitrocinnamoyl chloride may be used as derivatization reagent for the analysis of perhexiline and its monohydroxy metabolite in plasma by HPLC. It may be used as derivatization reagent to investigate the in vitro enzyme kinetics and CYP isoform selectivity of perhexiline monohydroxylation using human liver microsomes.
| Pubchem Sid | 504763984 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763984 |
| Canonical Smiles | C1=CC(=CC=C1C=CC(=O)Cl)[N+](=O)[O-] |
| IUPAC Name | (E)-3-(4-nitrophenyl)prop-2-enoyl chloride |
| InChIKey | RUPXNPWALFDXJD-ZZXKWVIFSA-N |
| INCHI | 1S/C9H6ClNO3/c10-9(12)6-3-7-1-4-8(5-2-7)11(13)14/h1-6H/b6-3+ |
| Isomeric SMILES | C1=CC(=CC=C1/C=C/C(=O)Cl)[N+](=O)[O-] |
| WGK Germany | 3 |
| PubChem CID | 5971362 |
| UN Number | 3261 |
| Packing Group | II |
| Molecular Weight | 211.6 |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cinnamic acids and derivatives |
| Alternative Parents | Nitrobenzenes Styrenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Acyl chlorides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Cinnamic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Styrene - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Acyl halide - Organic 1,3-dipolar compound - Acyl chloride - Organic oxoazanium - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organohalogen compound - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) 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 |
|---|---|---|---|
 B2325023 | Certificate of Analysis | Dec 22, 2025 | T337492 |
| B23241295 | Certificate of Analysis | Dec 22, 2025 | T337492 |
| F2525675 | Certificate of Analysis | Jun 10, 2025 | T337492 |
| C2508109 | Certificate of Analysis | Dec 10, 2022 | T337492 |
| L2413305 | Certificate of Analysis | Dec 10, 2022 | T337492 |
| Sensitivity | Moisture sensitive |
|---|---|
| Melt Point(°C) | 150-153° C |
| Molecular Weight | 211.600 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 211.004 Da |
| Monoisotopic Mass | 211.004 Da |
| Topological Polar Surface Area | 62.900 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 251.000 |
| 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 |
