4-(4-Methoxyphenyl)-3-(nitromethyl)-5-(trifluoromethyl)-4H-1,2,4-triazole CAS 338394-03-9

Purity 97%+In StockPharmaceutical Standards
CAS No.338394-03-9
Molecular FormulaC11H9F3N4O3
Molecular Weight302.21 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(4-Methoxyphenyl)-3-(nitromethyl)-5-(trifluoromethyl)-4H-1,2,4-triazole CAS 338394-03-9 chemical structure

Description

4-(4-Methoxyphenyl)-3-(nitromethyl)-5-(trifluoromethyl)-4H-1,2,4-triazole (C11H9F3N4O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

4-(4-Methoxyphenyl)-3-(nitromethyl)-5-(trifluoromethyl)-4H-1,2,4-triazole (CAS 338394-03-9), molecular formula C11H9F3N4O3 and molecular weight 302.21 g/mol, is a CATO reference standard with documented purity and traceability.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC11H9F3N4O3
Molecular Weight302.21 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms4

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