3-Methyl-4-nitro-5-(trichloromethyl)isoxazole CAS 2801693-37-6

Purity 97%+In StockPharmaceutical Standards
CAS No.2801693-37-6
Molecular FormulaC5H3Cl3N2O3
Molecular Weight245.45 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Methyl-4-nitro-5-(trichloromethyl)isoxazole CAS 2801693-37-6 chemical structure

Description

As a certified reference material (CRM), 3-Methyl-4-nitro-5-(trichloromethyl)isoxazole meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

3-Methyl-4-nitro-5-(trichloromethyl)isoxazole (CAS 2801693-37-6) is a high-purity analytical reference standard with the molecular formula C5H3Cl3N2O3 and a molecular weight of 245.45 g/mol.

Owing to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, 3-Methyl-4-nitro-5-(trichloromethyl)isoxazole is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 245.45 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.

Physical & Chemical Properties

Molecular FormulaC5H3Cl3N2O3
Molecular Weight245.45 g/mol
AppearanceOff-white 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 sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, DMSO, water
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
CAS Registry Year (est.)2003
Halogen ContentCl-containing
Nitrogen Atoms2

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