2-Chloro-4,6-bis(methylthio)-1,3,5-triazine CAS 4407-40-3
| CAS No. | 4407-40-3 |
| Molecular Formula | C5H6ClN3S2 |
| Molecular Weight | 207.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-Chloro-4,6-bis(methylthio)-1,3,5-triazine (CAS 4407-40-3), molecular formula C5H6ClN3S2 and molecular weight 207.70 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-Chloro-4,6-bis(methylthio)-1,3,5-triazine (C5H6ClN3S2) contains a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 207.70 g/mol, it falls into the medium-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.
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 | C5H6ClN3S2 |
| Molecular Weight | 207.70 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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