4-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid CAS 957513-68-7

Purity 97%+In StockPharmaceutical Standards
CAS No.957513-68-7
Molecular FormulaC9H13IN2O2
Molecular Weight308.12 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid CAS 957513-68-7 chemical structure

Description

The occurrence of 4-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 4-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid (CAS 957513-68-7), a certified reference material (molecular formula C9H13IN2O2, MW 308.12 g/mol) for analytical method development and quality control.

4-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid (C9H13IN2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, iodine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.)1987
Halogen ContentI-containing
Nitrogen Atoms2

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