5-Amino-2-((2-chlorobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile CAS 878414-55-2
| CAS No. | 878414-55-2 |
| Molecular Formula | C13H9ClN6S |
| Molecular Weight | 316.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-Amino-2-((2-chlorobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (CAS 878414-55-2), molecular formula C13H9ClN6S and molecular weight 316.77 g/mol, is a CATO reference standard with documented purity and traceability.
5-Amino-2-((2-chlorobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (C13H9ClN6S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 5-Amino-2-((2-chlorobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C13H9ClN6S |
| Molecular Weight | 316.77 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 6 |
| Sulfur Atoms | 1 |
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- (2-Fluoro-5-(trifluoromethoxy)phenyl)methanol (CAS 344411-08-1)
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