1-[(4-Chlorophenyl)methyl]-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one CAS 860786-72-7

Purity 97%+In StockPharmaceutical Standards
CAS No.860786-72-7
Molecular FormulaC16H13ClFN3O
Molecular Weight317.75 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-[(4-Chlorophenyl)methyl]-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one CAS 860786-72-7 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-[(4-Chlorophenyl)methyl]-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one.

CATO supplies 1-[(4-Chlorophenyl)methyl]-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860786-72-7), a certified reference material (molecular formula C16H13ClFN3O, MW 317.75 g/mol) for analytical method development and quality control.

1-[(4-Chlorophenyl)methyl]-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one (C16H13ClFN3O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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-[(4-Chlorophenyl)methyl]-4-(2-fluorophenyl)-3-methyl-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 FormulaC16H13ClFN3O
Molecular Weight317.75 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/Cl-containing
Nitrogen Atoms3

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