1-Methyl-3-phenyl-5-((3-(trifluoromethyl)phenyl)thio)-1H-pyrazole-4-carbonitrile CAS 321998-25-8
| CAS No. | 321998-25-8 |
| Molecular Formula | C18H12F3N3S |
| Molecular Weight | 359.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-Methyl-3-phenyl-5-((3-(trifluoromethyl)phenyl)thio)-1H-pyrazole-4-carbonitrile is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-Methyl-3-phenyl-5-((3-(trifluoromethyl)phenyl)thio)-1H-pyrazole-4-carbonitrile (CAS 321998-25-8) is a high-purity analytical reference standard with the molecular formula C18H12F3N3S and a molecular weight of 359.37 g/mol.
Structurally, 1-Methyl-3-phenyl-5-((3-(trifluoromethyl)phenyl)thio)-1H-pyrazole-4-carbonitrile (C18H12F3N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 359.37 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C18H12F3N3S |
| Molecular Weight | 359.37 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
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- Semaglutide Impurity 189 (CAS CATO-C4X-2226189)
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