2-((2-Chloro-6-fluorobenzyl)thio)-7-(pyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine CAS 338751-46-5
| CAS No. | 338751-46-5 |
| Molecular Formula | C17H11ClFN5S |
| Molecular Weight | 371.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-((2-Chloro-6-fluorobenzyl)thio)-7-(pyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
2-((2-Chloro-6-fluorobenzyl)thio)-7-(pyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 338751-46-5) is a high-purity analytical reference standard with the molecular formula C17H11ClFN5S and a molecular weight of 371.82 g/mol.
Based on its molecular formula C17H11ClFN5S, 2-((2-Chloro-6-fluorobenzyl)thio)-7-(pyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 371.82 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C17H11ClFN5S |
| Molecular Weight | 371.82 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- (2Z)-2-({4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}methylidene)-1-azabicyclo[2.2.2]octan-3-one (CAS 866019-67-2)
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Recommended Standards
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- (4Z)-1-(4-Chlorophenyl)-3-ethoxy-4-{[(4-methoxyphenyl)amino]methylidene}-4,5-dihydro-1H-pyrazol-5-one (CAS 338751-08-9)
- 3-(4-Chlorophenyl)-5-(1-phenyl-1H-pyrazol-5-yl)benzo[c]isoxazole (CAS 321998-10-1)
- Methyl 6-cyclopentyl-2-oxo-1,2-dihydropyridine-4-carboxylate (CAS 1495273-79-4)
- 5-(5-Bromo-3-methylpyridin-2-yl)pentan-1-amine (CAS 1518372-62-7)
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- 2,4,7-Trimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile (CAS 61078-95-3)
- 6-Chloro-N-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxamide (CAS 866142-56-5)
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