4-(5-Iodo-1H-pyrazol-4-yl)-2-(methylthio)pyrimidine CAS 1111637-86-5
| CAS No. | 1111637-86-5 |
| Molecular Formula | C8H7IN4S |
| Molecular Weight | 318.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-(5-Iodo-1H-pyrazol-4-yl)-2-(methylthio)pyrimidine (CAS 1111637-86-5) is a high-purity analytical reference standard with the molecular formula C8H7IN4S and a molecular weight of 318.14 g/mol.
4-(5-Iodo-1H-pyrazol-4-yl)-2-(methylthio)pyrimidine (C8H7IN4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, iodine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 4-(5-Iodo-1H-pyrazol-4-yl)-2-(methylthio)pyrimidine 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.
Physical & Chemical Properties
| Molecular Formula | C8H7IN4S |
| Molecular Weight | 318.14 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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