Methyl 5-((4-chlorophenyl)thio)-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate CAS 956324-48-4
| CAS No. | 956324-48-4 |
| Molecular Formula | C18H12ClN3O2S |
| Molecular Weight | 369.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Methyl 5-((4-chlorophenyl)thio)-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate (CAS 956324-48-4) is a high-purity analytical reference standard with the molecular formula C18H12ClN3O2S and a molecular weight of 369.82 g/mol.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, Methyl 5-((4-chlorophenyl)thio)-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 369.82 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C18H12ClN3O2S |
| Molecular Weight | 369.82 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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