≥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.
| Sonrisas canónicas | C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=C(C=C3)I)C(=O)O |
|---|---|
| IUPAC Name | 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-iodobenzoic acid |
| InChIKey | ACTDNBXJSIGMGN-UHFFFAOYSA-N |
| INCHI | 1S/C16H10INO4/c17-13-6-5-9(7-12(13)16(21)22)8-18-14(19)10-3-1-2-4-11(10)15(18)20/h1-7H,8H2,(H,21,22) |
| Isómeros SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=C(C=C3)I)C(=O)O |
| PubChem CID | 1263690 |
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 |
| Clase | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Isoindolones |
| Direct Parent | Phthalimides |
| Alternative Parents | 2-halobenzoic acids Halobenzoic acids Benzoic acids Isoindoles Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Iodobenzenes N-substituted carboxylic acid imides Aryl iodides Vinylogous halides Monocarboxylic acids and derivatives Azacyclic compounds Organoiodides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Organooxygen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalimide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Isoindole - Benzoic acid or derivatives - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Halobenzene - Iodobenzene - Benzenoid - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Carboxylic acid imide - Vinylogous halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides. |
| External Descriptors | Not available |
| Peso molecular | 407.160 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 406.965 Da |
| Monoisotopic Mass | 406.965 Da |
| Topological Polar Surface Area | 74.700 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 471.000 |
| 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 |
![5-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-iodobenzoic acid - ≥97% , CAS No.540513-92-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)