| CAS No. | 1399654-52-4 |
| Molecular Formula | C12H13IN2 |
| Molecular Weight | 312.15 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-(4-Iodophenyl)-1-isopropyl-1H-pyrazole.
4-(4-Iodophenyl)-1-isopropyl-1H-pyrazole (CAS 1399654-52-4) is a high-purity analytical reference standard with the molecular formula C12H13IN2 and a molecular weight of 312.15 g/mol.
Based on its molecular formula C12H13IN2, 4-(4-Iodophenyl)-1-isopropyl-1H-pyrazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, iodine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 312.15 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C12H13IN2 |
| Molecular Weight | 312.15 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| 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.) | 1991 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 2 |