4-(4-Iodophenyl)-1-isopropyl-1H-pyrazole CAS 1399654-52-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1399654-52-4
Molecular FormulaC12H13IN2
Molecular Weight312.15 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(4-Iodophenyl)-1-isopropyl-1H-pyrazole CAS 1399654-52-4 chemical structure

Description

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.

Physical & Chemical Properties

Molecular FormulaC12H13IN2
Molecular Weight312.15 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1991
Halogen ContentI-containing
Nitrogen Atoms2

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