≥97% 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.
| Canonical Smiles | CC1=C(C=C(C=C1)NCN2C(=O)C3CC=CCC3C2=O)Cl |
|---|---|
| IUPAC Name | 2-[(3-chloro-4-methylanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione |
| InChIKey | SIJFZMFQCJLPGH-UHFFFAOYSA-N |
| INCHI | 1S/C16H17ClN2O2/c1-10-6-7-11(8-14(10)17)18-9-19-15(20)12-4-2-3-5-13(12)16(19)21/h2-3,6-8,12-13,18H,4-5,9H2,1H3 |
| Isomeric SMILES | CC1=C(C=C(C=C1)NCN2C(=O)C3CC=CCC3C2=O)Cl |
| PubChem CID | 3114418 |
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 | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoindolones |
| Alternative Parents | Isoindoles Phenylalkylamines Toluenes Chlorobenzenes Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Aryl chlorides Dicarboximides Lactams Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoindolone - Isoindole - Phenylalkylamine - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Dicarboximide - Pyrrolidine - Carboxylic acid imide - Lactam - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. |
| External Descriptors | Not available |
| Molecular Weight | 304.770 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 304.098 Da |
| Monoisotopic Mass | 304.098 Da |
| Topological Polar Surface Area | 49.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 439.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| 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-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione - ≥97% , CAS No.326920-64-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)