5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile CAS 256414-71-8
| CAS No. | 256414-71-8 |
| Molecular Formula | C23H15ClF3N3O4S |
| Molecular Weight | 521.90 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile is closely related to a flavonoid 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.
5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile (CAS 256414-71-8) is a high-purity analytical reference standard with the molecular formula C23H15ClF3N3O4S and a molecular weight of 521.90 g/mol.
The molecular framework of 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile (C23H15ClF3N3O4S) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, 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.
CATO manufactures 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C23H15ClF3N3O4S |
| Molecular Weight | 521.90 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related acetyl Standards
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Recommended Standards
- 4,4'-Oxybis(3-(2-bromoethyl)-1,2-dichlorobenzene) (CAS 3245-41-8)
- 2-[4-(Pyridin-2-yl)piperazin-1-yl]-N-(4-{[(2,3,4-trichlorophenyl)methyl]sulfanyl}phenyl)acetamide (CAS 647031-46-7)
- 2,5-Di(trimethyltin)thieno[3,2-b]thiophene (CAS 502764-57-0)
- Indometacin Impurity 42 (CAS CATO-C4X-147042)
- tert-Butyl (R)-(1-amino-1-iminopropan-2-yl)carbamate (CAS 1260611-10-6)
- Lanthanum(III) chloride hydrate (CAS 51305-40-9)
- N-cyclohexylmorpholine-4-carboxamide (CAS 3417-54-7)
- 2,4-Dichloro-[1,1'-biphenyl]-3-carbaldehyde (CAS 1175949-53-7)
- Clopidogrel Impurity 75 (CAS 1217999-35-3)
- 2-Methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CAS 1083168-83-5)
- 4-Bromo-2-methyl-3-pyridinecarboxylic Acid Methy Ester (CAS 1374664-86-4)
- 5-Bromo-2-(trimethylsilyl)pyridine (CAS 291312-74-8)
- Tizanidine Impurity 45 (CAS CATO-C4X-144545)
- Liraglutide(3-31)TFA Salt (CAS CATO-C4X-19921)
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