≥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.
| Pubchem Sid | 504766717 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504766717 |
| Canonical Smiles | C#CCCCN1C(=O)C2=CC=CC=C2C1=O |
| IUPAC Name | 2-pent-4-ynylisoindole-1,3-dione |
| InChIKey | YNZIPXLLPFYDGM-UHFFFAOYSA-N |
| INCHI | 1S/C13H11NO2/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(14)16/h1,4-5,7-8H,3,6,9H2 |
| Isomeric SMILES | C#CCCCN1C(=O)C2=CC=CC=C2C1=O |
| WGK Germany | 3 |
| Molecular Weight | 213.23 |
| Reaxy-Rn | 1530029 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1530029&ln= |
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 | Isoindolones |
| Direct Parent | Phthalimides |
| Alternative Parents | Isoindoles N-substituted carboxylic acid imides Benzenoids Azacyclic compounds Acetylides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalimide - Isoindole - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Carboxylic acid derivative - Acetylide - Azacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E23061132 | Certificate of Analysis | Feb 04, 2026 | N342060 |
| E23061133 | Certificate of Analysis | Feb 04, 2026 | N342060 |
| E23061160 | Certificate of Analysis | Feb 04, 2026 | N342060 |
| E23061171 | Certificate of Analysis | Feb 04, 2026 | N342060 |
| E23061176 | Certificate of Analysis | Feb 04, 2026 | N342060 |
| E23061186 | Certificate of Analysis | Feb 04, 2026 | N342060 |
| J2520126 | Certificate of Analysis | Mar 17, 2023 | N342060 |
| J2520136 | Certificate of Analysis | Mar 17, 2023 | N342060 |
| Melt Point(°C) | 87-91 °C (lit.) |
|---|---|
| Molecular Weight | 213.230 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 213.079 Da |
| Monoisotopic Mass | 213.079 Da |
| Topological Polar Surface Area | 37.400 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 328.000 |
| 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 |
