≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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(=C1)N2C(=O)C3C4C=CC(C3C2=O)O4)C(F)(F)F |
|---|---|
| IUPAC Name | 2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione |
| InChIKey | QLDBIMFBXSTJIF-UHFFFAOYSA-N |
| INCHI | 1S/C15H10F3NO3/c16-15(17,18)7-2-1-3-8(6-7)19-13(20)11-9-4-5-10(22-9)12(11)14(19)21/h1-6,9-12H |
| Isomeric SMILES | C1=CC(=CC(=C1)N2C(=O)C3C4C=CC(C3C2=O)O4)C(F)(F)F |
| PubChem CID | 4261885 |
| Molecular Weight | 309.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Trifluoromethylbenzenes Isoindolones Pyrrolidine-2-ones N-substituted carboxylic acid imides Dicarboximides Dihydrofurans Pyrroles Oxolanes Lactams Dialkyl ethers Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-phenylpyrrolidine - Trifluoromethylbenzene - Isoindolone - Isoindoline - Isoindole or derivatives - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide - Dicarboximide - Dihydrofuran - Oxolane - Pyrrole - Lactam - Azacycle - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Carbonyl group - Organic oxygen compound - Organic oxide - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organofluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 309.240 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 309.061 Da |
| Monoisotopic Mass | 309.061 Da |
| Topological Polar Surface Area | 46.600 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 529.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione - ≥90% CAS No(433264-21-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/9/T940949.jpg)