≥95% 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 | CC1=NC2=NC=NN2C(=C1)C3=C(C=C(C=N3)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 7-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine |
| InChIKey | VGTJGYONBDMFJH-UHFFFAOYSA-N |
| INCHI | 1S/C12H7ClF3N5/c1-6-2-9(21-11(20-6)18-5-19-21)10-8(13)3-7(4-17-10)12(14,15)16/h2-5H,1H3 |
| Isomeric SMILES | CC1=NC2=NC=NN2C(=C1)C3=C(C=C(C=N3)C(F)(F)F)Cl |
| Alternate CAS | 1048383-29-4 |
| PubChem CID | 25007546 |
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 | Triazolopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazolopyrimidines |
| Alternative Parents | Pyrimidines and pyrimidine derivatives Pyridines and derivatives Aryl chlorides Triazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triazolopyrimidine - Aryl chloride - Aryl halide - Pyridine - Pyrimidine - Azole - Heteroaromatic compound - Triazole - 1,2,4-triazole - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Molecular Weight | 313.660 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 313.034 Da |
| Monoisotopic Mass | 313.034 Da |
| Topological Polar Surface Area | 56.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 382.000 |
| 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 |
![7-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine - ≥95% , CAS No.1048383-29-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)