3-Iodo-1-methyl-5-(trifluoromethyl)-1H-pyrazole CAS 1823829-61-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1823829-61-3
Molecular FormulaC5H4F3IN2
Molecular Weight276.00 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Iodo-1-methyl-5-(trifluoromethyl)-1H-pyrazole CAS 1823829-61-3 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 3-Iodo-1-methyl-5-(trifluoromethyl)-1H-pyrazole.

3-Iodo-1-methyl-5-(trifluoromethyl)-1H-pyrazole (CAS 1823829-61-3) is a high-purity analytical reference standard with the molecular formula C5H4F3IN2 and a molecular weight of 276.00 g/mol.

Based on its molecular formula C5H4F3IN2, 3-Iodo-1-methyl-5-(trifluoromethyl)-1H-pyrazole contains a nitrile group, fluorine/iodine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 276.00 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 FormulaC5H4F3IN2
Molecular Weight276.00 g/mol
AppearanceWhite to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1995
Halogen ContentF/I-containing
Nitrogen Atoms2

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