≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated,Cool 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.
| Canonical Smiles | C1=CC(=CC=C1N2C(=O)C(=C(C2=O)Cl)Cl)F |
|---|---|
| IUPAC Name | 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione |
| InChIKey | IPENDKRRWFURRE-UHFFFAOYSA-N |
| INCHI | 1S/C10H4Cl2FNO2/c11-7-8(12)10(16)14(9(7)15)6-3-1-5(13)2-4-6/h1-4H |
| Isomeric SMILES | C1=CC(=CC=C1N2C(=O)C(=C(C2=O)Cl)Cl)F |
| PubChem CID | 93228 |
| Molecular Weight | 260.05 |
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 | Nitrogen mustard compounds Fluorobenzenes Maleimides Aryl fluorides N-substituted carboxylic acid imides Vinylogous halides Dicarboximides Pyrroles Vinyl chlorides Azacyclic compounds Chloroalkenes Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organofluorides Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-phenylpyrroline - Nitrogen mustard - Fluorobenzene - Halobenzene - Maleimide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Dicarboximide - Vinylogous halide - Pyrrole - Carboxylic acid derivative - Azacycle - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - 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 | Dicarboximide fungicides |
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| Molecular Weight | 260.040 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 258.96 Da |
| Monoisotopic Mass | 258.96 Da |
| Topological Polar Surface Area | 37.400 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 351.000 |
| 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 |
