| CAS No. | 344282-85-5 |
| Molecular Formula | C17H11Cl3N2S |
| Molecular Weight | 381.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Structurally, 5-(3-Chlorophenyl)-2-((3,4-dichlorobenzyl)thio)pyrimidine (C17H11Cl3N2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 381.71 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
5-(3-Chlorophenyl)-2-((3,4-dichlorobenzyl)thio)pyrimidine (CAS 344282-85-5) is a high-purity analytical reference standard with the molecular formula C17H11Cl3N2S and a molecular weight of 381.71 g/mol.
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.
| Molecular Formula | C17H11Cl3N2S |
| Molecular Weight | 381.71 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |