| CAS No. | 91064-40-3 |
| Molecular Formula | C11H9Cl2N3S |
| Molecular Weight | 286.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-Allyl-5-(2,4-dichlorophenyl)-4h-1,2,4-triazole-3-thiol.
4-Allyl-5-(2,4-dichlorophenyl)-4h-1,2,4-triazole-3-thiol (CAS 91064-40-3), molecular formula C11H9Cl2N3S and molecular weight 286.18 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-Allyl-5-(2,4-dichlorophenyl)-4h-1,2,4-triazole-3-thiol (C11H9Cl2N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 286.18 g/mol, it falls into the medium-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.
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), 4-Allyl-5-(2,4-dichlorophenyl)-4h-1,2,4-triazole-3-thiol 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 | C11H9Cl2N3S |
| Molecular Weight | 286.18 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1983 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |