4-((3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)methyl)-5-methylisoxazole-3-carboxylic acid CAS 1006441-85-5

Purity 97%+In StockPharmaceutical Standards
CAS No.1006441-85-5
Molecular FormulaC11H12N4O5
Molecular Weight280.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-((3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)methyl)-5-methylisoxazole-3-carboxylic acid CAS 1006441-85-5 chemical structure

Description

Owing to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage, 4-((3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)methyl)-5-methylisoxazole-3-carboxylic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 280.24 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

4-((3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)methyl)-5-methylisoxazole-3-carboxylic acid (CAS 1006441-85-5) is a high-purity analytical reference standard with the molecular formula C11H12N4O5 and a molecular weight of 280.24 g/mol.

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 FormulaC11H12N4O5
Molecular Weight280.24 g/mol
AppearancePale yellow to yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Nitrogen Atoms4

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