≥90% 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 | C1=CC(=CC(=C1)Cl)CN2C(=O)C(=O)N(C2=O)CC#N |
|---|---|
| IUPAC Name | 2-[3-[(3-chlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetonitrile |
| InChIKey | PPBGTLNVLPPHFQ-UHFFFAOYSA-N |
| INCHI | 1S/C12H8ClN3O3/c13-9-3-1-2-8(6-9)7-16-11(18)10(17)15(5-4-14)12(16)19/h1-3,6H,5,7H2 |
| Isomeric SMILES | C1=CC(=CC(=C1)Cl)CN2C(=O)C(=O)N(C2=O)CC#N |
| PubChem CID | 2767592 |
| Molecular Weight | 277.67 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Imidazolidinones - Imidazolidinediones |
| Direct Parent | Hydantoins |
| Alternative Parents | Alpha amino acids and derivatives N-acyl ureas Chlorobenzenes Aryl chlorides Dicarboximides Nitriles Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hydantoin - Alpha-amino acid or derivatives - Chlorobenzene - Halobenzene - N-acyl urea - Ureide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Urea - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Organonitrogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organochloride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4. |
| External Descriptors | Not available |
| Molecular Weight | 277.660 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 277.025 Da |
| Monoisotopic Mass | 277.025 Da |
| Topological Polar Surface Area | 81.500 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 470.000 |
| 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 |
![2-[3-(3-Chlorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile - ≥90% , CAS No.303986-46-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)