≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)O |
|---|---|
| IUPAC Name | 2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-(4-hydroxyphenyl)acetonitrile |
| InChIKey | WYWOPPZPCDNOMO-UHFFFAOYSA-N |
| INCHI | 1S/C17H10Cl2N4O3/c18-13-5-10(23-17(26)22-15(25)8-21-23)6-14(19)16(13)12(7-20)9-1-3-11(24)4-2-9/h1-6,8,12,24H,(H,22,25,26) |
| Isómeros SMILES | C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)O |
| PubChem CID | 23035185 |
| Peso molecular | 389.19 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Diphenylacetonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylacetonitriles |
| Alternative Parents | Diphenylmethanes Dichlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides 1,2,4-triazines Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diphenylacetonitrile - Diphenylmethane - 1,3-dichlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - 1,2,4-triazine - Triazine - Heteroaromatic compound - Lactam - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as diphenylacetonitriles. These are cyclic aromatic compounds containing a diphenylacetonitrile moiety, which consists of a diphenylmethane linked to and acetonitrile to form 2,2-diphenylacetonitrile. |
| External Descriptors | Not available |
| Peso molecular | 389.200 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 388.013 Da |
| Monoisotopic Mass | 388.013 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 629.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
