5-{[(4-methylphenyl)methyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine CAS 478048-12-3

Purity 97%+In StockPharmaceutical Standards
CAS No.478048-12-3
Molecular FormulaC18H14F3N3S
Molecular Weight361.38 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-{[(4-methylphenyl)methyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine CAS 478048-12-3 chemical structure

Description

Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution, 5-{[(4-methylphenyl)methyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 361.38 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).

5-{[(4-methylphenyl)methyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine (CAS 478048-12-3) is a high-purity analytical reference standard with the molecular formula C18H14F3N3S and a molecular weight of 361.38 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 FormulaC18H14F3N3S
Molecular Weight361.38 g/mol
Purity97%+
StorageStore at 2-8°C, 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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms1

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