2-(Pyridin-2-yl)-4-(trifluoromethyl)-6-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine CAS 338418-06-7
| CAS No. | 338418-06-7 |
| Molecular Formula | C17H9F6N3S |
| Molecular Weight | 401.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-(Pyridin-2-yl)-4-(trifluoromethyl)-6-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-(Pyridin-2-yl)-4-(trifluoromethyl)-6-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine (CAS 338418-06-7), molecular formula C17H9F6N3S and molecular weight 401.33 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-(Pyridin-2-yl)-4-(trifluoromethyl)-6-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine (C17H9F6N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 401.33 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C17H9F6N3S |
| Molecular Weight | 401.33 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Pyridin Standards
- Pyridin-3-yl (1-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)methyl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (CAS 400084-68-6)
- 4-(2-(4-(3-(Pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine (CAS 597544-21-3)
- 2-((4-Phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(o-tolyl)acetamide (CAS 113518-47-1)
- 2-((4-Phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide (CAS 113518-48-2)
- 2-((4-Phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide (CAS 337505-61-0)
- 2-(4-(4-(Pyridin-2-yl)pyrimidin-2-yl)phenoxy)-N-(thiophen-2-ylmethyl)acetamide (CAS 478034-06-9)
- N-(Pyridin-4-yl)-6-(4-(thiophen-2-ylsulfonyl)piperazin-1-yl)pyridazin-3-amine (CAS 1021262-37-2)
- N-{1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl}quinoline-2-carboxamide (CAS 1396795-08-6)
Recommended Standards
- 2-(2,4-Difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline (CAS 337921-92-3)
- 2-Amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile (CAS 625376-13-8)
- 2-({[3-(ethoxycarbonyl)-4,5,6,7-tetrafluorobenzo[b]furan-2-yl]methyl}thio)pyridinium-1-olate (CAS 256425-23-7)
- 3-Phenyl-6-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,4-triazine (CAS 478048-10-1)
- 5-Bromo-2-(pyrrolidin-2-ylmethoxy)pyrimidine (CAS 1340505-46-5)
- 4-Hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid (CAS 1369503-31-0)
- Globomycin from Streptomyces hagronensis (CAS 67076-74-8)
- 2-(Difluoromethyl)-4-nitropyridine-5-acetic acid (CAS 1805224-65-0)
- 2-Benzyl-1,3-benzothiazole (CAS 6265-94-7)
- 2-Chloro-4-ethynyl-1,3-difluorobenzene (CAS 2228822-56-6)
- 2-[2-methyl-5-(propan-2-yl)phenoxy]propanoic acid (CAS 926189-79-9)
- 5-Bromo-2-ethoxy-1,3-difluorobenzene (CAS 115467-04-4)
- 3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid (CAS 32432-55-6)
- Semaglutide Impurity 192 (CAS CATO-C4X-2226192)
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