N-{4-[(4-fluorophenyl)sulfanyl]phenyl}-3-(trifluoromethyl)benzamide CAS 339011-56-2
| CAS No. | 339011-56-2 |
| Molecular Formula | C20H13F4NOS |
| Molecular Weight | 391.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-{4-[(4-fluorophenyl)sulfanyl]phenyl}-3-(trifluoromethyl)benzamide is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
N-{4-[(4-fluorophenyl)sulfanyl]phenyl}-3-(trifluoromethyl)benzamide (CAS 339011-56-2), molecular formula C20H13F4NOS and molecular weight 391.38 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of N-{4-[(4-fluorophenyl)sulfanyl]phenyl}-3-(trifluoromethyl)benzamide (C20H13F4NOS) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), N-{4-[(4-fluorophenyl)sulfanyl]phenyl}-3-(trifluoromethyl)benzamide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C20H13F4NOS |
| Molecular Weight | 391.38 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
- Ethyl 6-methyl-4-{[4-(trifluoromethyl)phenyl]methoxy}-4a,8a-dihydroquinoline-3-carboxylate (CAS 866155-83-1)
- Tadalafil impurity 165 (CAS 385769-80-2)
- Diethyl 2-acetamido-2-((6-nitro-1H-indol-3-yl)methyl)malonate (CAS 7355-90-0)
- Candesartan Cilexetil Impurity 39 (CAS CATO-C4X-123439)
- 1-((2,4-Dichlorobenzyl)amino)propan-2-ol (CAS 412308-24-8)
- (4-Bromo-phenyl)-dImethyl-[2-(tetrahydro-pyran-2-yloxymethyl)-phenyl]-sIlane (CAS 953412-90-3)
- 3-Amino-2-(3-amino-4-methoxyphenyl)-4H-chromen-4-one (CAS 187585-11-1)
- 1-(1H-Benzo[d]imidazol-2-yl)guanidine acetate (CAS 197806-67-0)
- 1-(2-Naphthyl)piperazine dihydrochloride (CAS 57536-91-1)
- 2-Methylimidazo[1,2-b]pyridazine-6-carboxylic acid (CAS 1315363-92-8)
- 5-Amino-1-(2-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide (CAS 443113-88-0)
- 6-Oxo-1-phenyl-4-(propylsulfanyl)-1,6-dihydropyridazine-3-carboxylic acid (CAS 339031-60-6)
- 1-Acetyl-3-indolinone (CAS 16800-68-3)
- Liraglutide Impurity 21 TFA Salt (CAS CATO-C4X-199221)
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