| CAS No. | 338417-86-0 |
| Molecular Formula | C18H12ClN3S |
| Molecular Weight | 337.83 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 337.83 g/mol gives 3-{[(4-chlorophenyl)methyl]sulfanyl}-6-phenylpyridazine-4-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-phenylpyridazine-4-carbonitrile (CAS 338417-86-0) is a high-purity analytical reference standard with the molecular formula C18H12ClN3S and a molecular weight of 337.83 g/mol.
Structurally, 3-{[(4-chlorophenyl)methyl]sulfanyl}-6-phenylpyridazine-4-carbonitrile (C18H12ClN3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 337.83 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.
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), 3-{[(4-chlorophenyl)methyl]sulfanyl}-6-phenylpyridazine-4-carbonitrile 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.
| Molecular Formula | C18H12ClN3S |
| Molecular Weight | 337.83 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |