1-Benzyl-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one CAS 861206-70-4

Purity 97%+In StockPharmaceutical Standards
CAS No.861206-70-4
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-Benzyl-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one CAS 861206-70-4 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-Benzyl-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one.

CATO supplies 1-Benzyl-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 861206-70-4), a certified reference material (molecular formula C17H14F3N3O, MW 333.31 g/mol) for analytical method development and quality control.

Structurally, 1-Benzyl-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (C17H14F3N3O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 333.31 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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.

CATO manufactures 1-Benzyl-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms3

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