≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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=NC2=C(N1)C(=NC(=N2)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 6-chloro-2-(trifluoromethyl)-7H-purine |
| InChIKey | GRFXWPMEDWAEMH-UHFFFAOYSA-N |
| INCHI | 1S/C6H2ClF3N4/c7-3-2-4(12-1-11-2)14-5(13-3)6(8,9)10/h1H,(H,11,12,13,14) |
| Isómeros SMILES | C1=NC2=C(N1)C(=NC(=N2)C(F)(F)F)Cl |
| CAS alternativo | 1998-63-6 |
| PubChem CID | 6053911 |
| Número NSC | 46027 |
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 |
| Clase | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purines and purine derivatives |
| Alternative Parents | Halopyrimidines Aryl chlorides Imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Imidazole - Azole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring. |
| External Descriptors | Not available |
| Peso molecular | 222.550 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 221.992 Da |
| Monoisotopic Mass | 221.992 Da |
| Topological Polar Surface Area | 54.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 224.000 |
| 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 |
