3-Chloro-2-(3-(4-nitro-3-((phenylsulfonyl)methyl)phenyl)-1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridine CAS 318247-40-4
| CAS No. | 318247-40-4 |
| Molecular Formula | C22H14ClF3N4O4S |
| Molecular Weight | 522.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-Chloro-2-(3-(4-nitro-3-((phenylsulfonyl)methyl)phenyl)-1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridine.
3-Chloro-2-(3-(4-nitro-3-((phenylsulfonyl)methyl)phenyl)-1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridine (CAS 318247-40-4), molecular formula C22H14ClF3N4O4S and molecular weight 522.88 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Chloro-2-(3-(4-nitro-3-((phenylsulfonyl)methyl)phenyl)-1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridine (C22H14ClF3N4O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 522.88 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C22H14ClF3N4O4S |
| Molecular Weight | 522.88 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 | 4 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-5-[(E)-2-{[4-(trifluoromethoxy)phenyl]amino}ethenyl]-1,2-thiazole-4-carbonitrile (CAS 338413-01-7)
- 10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-7-[(E)-2-phenylethenyl]-4-thia-6,10-diazatricyclo[6.3.0.0^{2,6}]undecane-9,11-dione (CAS 321522-14-9)
- 1-(2-(2-Chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl)-4-(4-(dimethylamino)benzylidene)-3-methyl-1H-pyrazol-5(4H)-one (CAS 119457-15-7)
- 3-Chloro-2-[(1E)-(4-chlorophenyl)({2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazin-1-ylidene})methyl]-5-(trifluoromethyl)pyridine (CAS 338770-77-7)
- 2-({5-chloro-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-oxo-1,6-dihydropyridazin-4-yl}(methyl)amino)ethyl 2,6-difluorobenzoate (CAS 338400-01-4)
- (E)-[1-(4-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}phenyl)ethylidene][(4-chlorophenyl)methoxy]amine (CAS 337919-67-2)
- 5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-N-[(1E)-({[3-(trifluoromethyl)phenyl]methoxy}amino)methylidene]-4,5-dihydro-1,2-oxazole-3-carboxamide (CAS 321432-34-2)
- 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N1,N3-bis(3-methoxybenzyl)malonamide (CAS 478077-72-4)
Recommended Standards
- Probucol-d6 (CAS 23288-49-5 (unlabelled))
- 2'-[4-(3-Chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)-5,5'-dimethyl-2H,2'H-[3,4'-bipyrazole]-3'-ol (CAS 1007073-49-5)
- Cefuroxime Impurity 71 (CAS CATO-C4X-124571)
- 9,9-Bis(3,7-dimethyloctyl)-2,7-di(prop-1-yn-1-yl)-9H-fluorene (CAS 278176-14-0)
- n-Benzyl-2-(5-bromo-2-ethoxy-4-formylphenoxy)acetamide (CAS 832674-54-1)
- 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl alcohol (CAS 79674-46-7)
- Ethyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate (CAS 138891-58-4)
- 3,3'-Dibromo-9,9'-bicarbazole (CAS 2237969-71-8)
- 6-Fluoro-1H-benzo[d][1,2,3]triazole-5-carboxylic acid (CAS 1427081-62-6)
- 4-(Chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazole (CAS 1268245-50-6)
- 1-Bromo-3,5-dicyclopropylbenzene (CAS 1563534-77-9)
- Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate (CAS 111247-60-0)
- rac Amphetamine-d6 Hydrochloride (100 μg/mL in Methanol) (CAS 205437-60-1)
- (Asp28)-Exenatide trifluoroacetate salt (CAS 1678417-24-7)
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