3-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenoxy)methyl]benzonitrile CAS 339020-06-3
| CAS No. | 339020-06-3 |
| Molecular Formula | C21H14ClF3N2O |
| Molecular Weight | 402.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 402.80 g/mol gives 3-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenoxy)methyl]benzonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenoxy)methyl]benzonitrile (CAS 339020-06-3), molecular formula C21H14ClF3N2O and molecular weight 402.80 g/mol, is a CATO reference standard with documented purity and traceability.
3-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenoxy)methyl]benzonitrile (C21H14ClF3N2O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C21H14ClF3N2O |
| Molecular Weight | 402.80 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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 | 2 |
Related chloro Standards
- 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(3,4-dimethoxyphenethyl)acetamide (CAS 478079-17-3)
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Recommended Standards
- 2-(4-Chlorophenyl)-1-{[3-(trifluoromethyl)phenyl]methoxy}-1H-1,3-benzodiazole (CAS 338791-23-4)
- 6,8-Dibromo-3-iodoimidazo[1,2-a]pyrazine, 97% (CAS 1351373-56-2)
- 6,8-Dibromo-3-iodoimidazo[1,2-b]pyridazine (CAS 1365243-73-7)
- 2-(2-Chlorophenyl)-1-{[3-(trifluoromethyl)phenyl]methoxy}-1H-1,3-benzodiazole (CAS 338791-20-1)
- Methyl 3-{2-[(2-{2-[(4-methoxyphenyl)sulfanyl]acetamido}phenyl)sulfanyl]acetamido}thiophene-2-carboxylate (CAS 477887-75-5)
- cis-Ethyl 4-amino-3-methoxypiperidine-1-carboxylate (CAS 156970-97-7)
- 3-[(2-Amino-ethyl)-ethyl-amino]-pyrrolidine-1-carboxylic acid benzyl ester (CAS 1353981-87-9)
- Methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate (CAS 695212-12-5)
- 2-(3-(Aminomethyl)tetrahydro-2h-pyran-3-yl)propan-2-ol (CAS 1699078-69-7)
- Pyrrolo[1,2-a]pyrimidine-6-carboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-ethyl ester (CAS 2408430-30-6)
- 1-chloro-3-tetrahydrofuran-3-yl-propan-2-one (CAS 1936097-26-5)
- 3-Bromo-6-(2-fluorophenyl)isothiazolo[5,4-b]pyridine (CAS 1706434-96-9)
- Somatostatin Impurity 15 (CAS CATO-C4X-235015)
- [α-Glu](Side Chain)-Semaglutide (CAS CATO-C4X-2226159)
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