2-((2-Chloro-6-fluorobenzyl)thio)-7-(1-(2,4-dichlorophenoxy)ethyl)-[1,2,4]triazolo[1,5-a]pyrimidine CAS 338751-48-7
| CAS No. | 338751-48-7 |
| Molecular Formula | C20H14Cl3FN4OS |
| Molecular Weight | 483.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-((2-Chloro-6-fluorobenzyl)thio)-7-(1-(2,4-dichlorophenoxy)ethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-((2-Chloro-6-fluorobenzyl)thio)-7-(1-(2,4-dichlorophenoxy)ethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 338751-48-7) is a high-purity analytical reference standard with the molecular formula C20H14Cl3FN4OS and a molecular weight of 483.77 g/mol.
The molecular framework of 2-((2-Chloro-6-fluorobenzyl)thio)-7-(1-(2,4-dichlorophenoxy)ethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (C20H14Cl3FN4OS) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C20H14Cl3FN4OS |
| Molecular Weight | 483.77 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
- 5-Bromo-13-(4-chlorophenyl)-6-hydroxy-11-phenyl-8-thia-3,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one (CAS 939888-55-8)
- 2,3,4,6-Tetrabromodibenzo[b,d]furan (CAS 131166-91-1)
- 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tetrahydrofuran-2-yl]-2-oxo-pyrimidine-5-carbaldehyde (CAS 1257247-38-3)
- 1,2,3,4-Tetrabromodibenzo[b,d]furan (CAS 617707-58-1)
- 3,3-Dimethyl-2,3-dihydro-1H-inden-4-ol (CAS 82615-36-9)
- (6-Chloroimidazo[1,2-b]pyridazin-3-yl)(phenyl)methanone (CAS 90734-72-8)
- 4-Bromo-1-((2-bromophenyl)sulfonyl)-1H-pyrazole (CAS 957062-77-0)
- 1-(3,5-Dimethylphenyl)-3-(2-methoxyphenyl)propan-1-one (CAS 898770-09-7)
- AMOR (CAS 13006-41-2)
- (3AR,4S,9bS)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (CAS 1415811-43-6)
- 5-Isopropyl-2-methylthiophen-3-amine (CAS 2567558-60-3)
- 3-chloro-N-(2-methylpropyl)aniline hydrochloride (CAS 1909306-30-4)
- 3-[4-(4-Methoxyphenyl)piperazine-1-carbonyl]-5-methyl-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one (CAS 1574560-79-4)
- Semaglutide impurity 49 (CAS CATO-C4X-222649)
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