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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
4,5-Dichlorophthalimide (5,6-dichloro-1H-isoindole-1,3(2H)-dione) is a phthalimide derivative. It has been synthesized from 5,6-dichloro-1,3-isobenzofurandione and characterized by 1H ,13C-NMR and IR.The dipole moment, polarizability and first-order hyperpolarizability of 4,5-dichlorophthalimide have been investigated using ab initio and density functional theory calculations.
| Sonrisas canónicas | C1=C2C(=CC(=C1Cl)Cl)C(=O)NC2=O |
|---|---|
| IUPAC Name | 5,6-dichloroisoindole-1,3-dione |
| InChIKey | QJPBDGMPYPSJSF-UHFFFAOYSA-N |
| INCHI | 1S/C8H3Cl2NO2/c9-5-1-3-4(2-6(5)10)8(13)11-7(3)12/h1-2H,(H,11,12,13) |
| Isómeros SMILES | C1=C2C(=CC(=C1Cl)Cl)C(=O)NC2=O |
| WGK Alemania | 3 |
| Peso molecular | 216.02 |
| Reaxy-Rn | 152876 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=152876&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Isoindoles Benzenoids Aryl chlorides N-unsubstituted carboxylic acid imides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalimide - Isoindole - Aryl chloride - Aryl halide - Benzenoid - Carboxylic acid imide - Carboxylic acid imide, n-unsubstituted - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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 |
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| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Nov 14, 2023 | D167653 |
| Punto de fusión (°C) | 217-219°C |
|---|---|
| Peso molecular | 216.020 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 214.954 Da |
| Monoisotopic Mass | 214.954 Da |
| Topological Polar Surface Area | 46.200 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 243.000 |
| 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 |