4-(4-Allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole CAS 956977-56-3

Purity 97%+In StockPharmaceutical Standards
CAS No.956977-56-3
Molecular FormulaC20H16F4N6S2
Molecular Weight480.50 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(4-Allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole CAS 956977-56-3 chemical structure

Description

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.

4-(4-Allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole (CAS 956977-56-3), molecular formula C20H16F4N6S2 and molecular weight 480.50 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C20H16F4N6S2, 4-(4-Allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 480.50 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC20H16F4N6S2
Molecular Weight480.50 g/mol
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)14.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms6
Sulfur Atoms2

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