2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methoxy-4-[3-(trifluoromethyl)phenoxy]pyrimidine CAS 338423-07-7
| CAS No. | 338423-07-7 |
| Molecular Formula | C19H14ClF3N2O2S |
| Molecular Weight | 426.84 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methoxy-4-[3-(trifluoromethyl)phenoxy]pyrimidine is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methoxy-4-[3-(trifluoromethyl)phenoxy]pyrimidine (CAS 338423-07-7) is a high-purity analytical reference standard with the molecular formula C19H14ClF3N2O2S and a molecular weight of 426.84 g/mol.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methoxy-4-[3-(trifluoromethyl)phenoxy]pyrimidine is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 426.84 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C19H14ClF3N2O2S |
| Molecular Weight | 426.84 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| 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 | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 1,1,1-Trifluoro-3-((1-phenyl-1H-imidazol-2-yl)thio)propan-2-yl 3-chlorobenzoate (CAS 691891-14-2)
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- Ytterbium(II) iodide (CAS 19357-86-9)
- (5-Phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)methanol (CAS 86514-33-2)
- Methyl 3-(3-(<I>tert</I>-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1<I>H</I>-indol-2 -yl)-2,2-dimethylpropanoate (CAS 136694-18-3)
- 3,3-Dibromo-4-nitro-1H-pyrrolo[2,3-b]pyridin-2-one (CAS 1864061-41-5)
- VU 0357017 HCl (CAS 1135242-13-5)
- 2-(3-Methyl-[1,1'-biphenyl]-4-yl)acetic acid (CAS 6908-55-0)
- 34272-68-9 6-({[(11|A)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}carbonyl)cyclohex-3-ene-1-carboxylic acid AR-1G9652 (CAS 34272-68-9)
- 6-Cyano-4-(difluoromethyl)-5-iodopyridine-3-sulfonamide (CAS 1805375-28-3)
- 8-Fluoro-4-oxo-4H-chromene-2-carboxylic acid (CAS 93340-04-6)
- 7-(3-Chlorophenyl)-7-oxoheptanoic acid (CAS 898765-73-6)
- Tirzepatide Impurity 46 (CAS CATO-C4X-324046)
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