≥98% 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 | 488188890 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188890 |
| Canonical Smiles | C1=CC(=CC=C1N2C(=O)C=CC2=O)[N+](=O)[O-] |
| IUPAC Name | 1-(4-nitrophenyl)pyrrole-2,5-dione |
| InChIKey | CVKDEEISKBRPEQ-UHFFFAOYSA-N |
| INCHI | 1S/C10H6N2O4/c13-9-5-6-10(14)11(9)7-1-3-8(4-2-7)12(15)16/h1-6H |
| Isomeric SMILES | C1=CC(=CC=C1N2C(=O)C=CC2=O)[N+](=O)[O-] |
| Molecular Weight | 218.17 |
| Beilstein | 21(5)10,15 |
| Reaxy-Rn | 188275 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=188275&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 | Organoheterocyclic compounds |
| Class | Pyrrolines |
| Subclass | Phenylpyrrolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolines |
| Alternative Parents | Nitrobenzenes Nitroaromatic compounds Maleimides N-substituted carboxylic acid imides Pyrroles Dicarboximides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-phenylpyrroline - Nitrobenzene - Nitroaromatic compound - Maleimide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Dicarboximide - Pyrrole - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond. |
| 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 |
|---|---|---|---|
 I2301527 | Certificate of Analysis | Aug 21, 2023 | N158893 |
| I2301528 | Certificate of Analysis | Aug 21, 2023 | N158893 |
| I2301529 | Certificate of Analysis | Aug 21, 2023 | N158893 |
| I2301530 | Certificate of Analysis | Aug 21, 2023 | N158893 |
| Melt Point(°C) | 170 °C |
|---|---|
| Molecular Weight | 218.170 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 218.033 Da |
| Monoisotopic Mass | 218.033 Da |
| Topological Polar Surface Area | 83.200 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 346.000 |
| 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 |
