2-((2-Chloro-6-fluorobenzyl)thio)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine CAS 338751-45-4
| CAS No. | 338751-45-4 |
| Molecular Formula | C19H14ClFN4OS |
| Molecular Weight | 400.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-((2-Chloro-6-fluorobenzyl)thio)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 338751-45-4) is a high-purity analytical reference standard with the molecular formula C19H14ClFN4OS and a molecular weight of 400.86 g/mol.
Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 2-((2-Chloro-6-fluorobenzyl)thio)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 400.86 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C19H14ClFN4OS |
| Molecular Weight | 400.86 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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 | 4 |
| Sulfur Atoms | 1 |
Related Chloro Standards
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Recommended Standards
- 6,7-Bis(benzyloxy)-4-chloroquinoline-3-carbonitrile (CAS 1822792-24-4)
- tert-Butyl (3-(6-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxamido)-4-methylphenyl)carbamate (CAS 1311254-62-2)
- 2-[(5Z)-5-[(3-Chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione (CAS 477859-22-6)
- (3-(4-Chlorophenyl)-9-methyl-5-phenyl-7H-furo[3,2-g]chromen-7-ylidene)hydrazine (CAS 1092333-66-8)
- 2-(3-Fluoro-5-(trifluoromethyl)pyridin-2-yl)-2,6-diazaspiro[3.3]Heptane hydrochloride (CAS 2306275-80-7)
- 5,6-Dihydronaphthalene-1-carboxylic acid (CAS 444914-74-3)
- 23S-hydroxy-3,7,11,15-tetraoxo-lanost-8,24E-diene-26-oic acid (CAS 1085273-49-9)
- 3-Chloro-4,5-difluoropyridine (CAS 851178-98-8)
- Ethyl 1-ethyl-5-(trifluoromethyl)-1h-pyrazole-3-carboxylate (CAS 1006319-33-0)
- 3-Boc-3,9-diaza-bicyclo[4.2.1]nonane tosylate (CAS 2305079-36-9)
- 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidine (CAS 2813245-32-6)
- Minocycline Impurity 61 (CAS CATO-C4X-169961)
- 2,4,6-Trichloro-N-(5,6-dimethyl-1-(3-methylbenzyl)-1H-benzo[d]imidazol-4-yl)benzenesulfonamide (CAS 865660-72-6)
- Semaglutide impurity 276 (CAS CATO-C4X-2226276)
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