4-(4-Chlorophenoxy)-2-(pyridin-2-yl)-6-(trifluoromethyl)pyrimidine CAS 338418-29-4
| CAS No. | 338418-29-4 |
| Molecular Formula | C16H9ClF3N3O |
| Molecular Weight | 351.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-(4-Chlorophenoxy)-2-(pyridin-2-yl)-6-(trifluoromethyl)pyrimidine (CAS 338418-29-4), molecular formula C16H9ClF3N3O and molecular weight 351.71 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-(4-Chlorophenoxy)-2-(pyridin-2-yl)-6-(trifluoromethyl)pyrimidine (C16H9ClF3N3O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine 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 351.71 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.
Physical & Chemical Properties
| Molecular Formula | C16H9ClF3N3O |
| Molecular Weight | 351.71 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related Chlorophenoxy Standards
- 4-(2-Chlorophenoxy)-2-(pyridin-2-yl)-6-(trifluoromethyl)pyrimidine (CAS 338754-21-5)
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Recommended Standards
- 6-Chloro-4-(pyridin-2-ylethynyl)-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-one (CAS 214287-64-6)
- 2-chloro-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-(2,2,2-trifluoroethoxy)isonicotinohydrazide (CAS 680213-94-9)
- Ethyl 5-(((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)methyl)-4,5-dihydroisoxazole-3-carboxylate (CAS 339105-98-5)
- 1-{4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-nitroethen-1-amine (CAS 1823194-85-9)
- (S)-tert-Butyl (1-fluoro-4-phenylbutan-2-yl)carbamate (CAS 2761418-75-9)
- N,N-bisBoc 2-Chlorosulfonylethylamine (CAS 1380171-04-9)
- TBK1 PROTAC®3i (CAS 2052306-13-3)
- 3-(Piperazin-1-yl)azetidine-3-carbonitrile (CAS 1516982-92-5)
- 1-(Piperazin-1-yl)anthracene-9,10-dione (CAS 345265-55-6)
- 4,4'-(Quinoxaline-2,3-diyl)dianiline (CAS 2810-93-7)
- 1'-Azaspiro[cyclopropane-1,2'-quinuclidin]-3'-one (CAS 1954361-13-7)
- Methyl Valerate (CAS 624-24-8)
- Penbutolol Impurity 8 (CAS 6627-83-4)
- Fragment-[7-31]-Liraglutide (CAS CATO-C4X-199239)
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