Methyl 1-(sec-butyl)-4-iodo-1H-pyrazole-5-carboxylate CAS 1354705-59-1

Purity 97%+In StockPharmaceutical Standards
CAS No.1354705-59-1
Molecular FormulaC9H13IN2O2
Molecular Weight308.12 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 1-(sec-butyl)-4-iodo-1H-pyrazole-5-carboxylate CAS 1354705-59-1 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 308.12 g/mol gives Methyl 1-(sec-butyl)-4-iodo-1H-pyrazole-5-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Methyl 1-(sec-butyl)-4-iodo-1H-pyrazole-5-carboxylate (CAS 1354705-59-1), molecular formula C9H13IN2O2 and molecular weight 308.12 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C9H13IN2O2, Methyl 1-(sec-butyl)-4-iodo-1H-pyrazole-5-carboxylate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, iodine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 308.12 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC9H13IN2O2
Molecular Weight308.12 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1991
Halogen ContentI-containing
Nitrogen Atoms2

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