1-(5-(Tert-butyl)isoxazol-3(2h)-ylidene)-3-(2-(trifluoromethyl)phenyl)urea CAS 304440-06-0

Purity 97%+In StockPharmaceutical Standards
CAS No.304440-06-0
Molecular FormulaC15H16F3N3O2
Molecular Weight327.30 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(5-(Tert-butyl)isoxazol-3(2h)-ylidene)-3-(2-(trifluoromethyl)phenyl)urea CAS 304440-06-0 chemical structure

Description

The occurrence of 1-(5-(Tert-butyl)isoxazol-3(2h)-ylidene)-3-(2-(trifluoromethyl)phenyl)urea is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 1-(5-(Tert-butyl)isoxazol-3(2h)-ylidene)-3-(2-(trifluoromethyl)phenyl)urea (CAS 304440-06-0), a certified reference material (molecular formula C15H16F3N3O2, MW 327.30 g/mol) for analytical method development and quality control.

Structurally, 1-(5-(Tert-butyl)isoxazol-3(2h)-ylidene)-3-(2-(trifluoromethyl)phenyl)urea (C15H16F3N3O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 327.30 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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.

As a certified reference material (CRM), 1-(5-(Tert-butyl)isoxazol-3(2h)-ylidene)-3-(2-(trifluoromethyl)phenyl)urea 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.

Physical & Chemical Properties

Molecular FormulaC15H16F3N3O2
Molecular Weight327.30 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 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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms3

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