≥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=C(N2C(=C(C=N2)C#N)N=C1)Cl |
|---|---|
| IUPAC Name | 7-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| InChIKey | XXUKSBBIJKPEOT-UHFFFAOYSA-N |
| INCHI | 1S/C7H3ClN4/c8-6-1-2-10-7-5(3-9)4-11-12(6)7/h1-2,4H |
| Isómeros SMILES | C1=C(N2C(=C(C=N2)C#N)N=C1)Cl |
| CAS alternativo | 1159982-97-4 |
| PubChem CID | 49761484 |
| Peso molecular | 178.58 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyrazolopyrimidines |
| Subclass | Pyrazolo[1,5-a]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolo[1,5-a]pyrimidines |
| Alternative Parents | Halopyrimidines Aryl chlorides Pyrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolo[1,5-a]pyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring. |
| External Descriptors | Not available |
| Peso molecular | 178.580 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 178.005 Da |
| Monoisotopic Mass | 178.005 Da |
| Topological Polar Surface Area | 54.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 223.000 |
| 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 |
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