4-(((5-(2-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile CAS 5302-36-3

Purity 97%+In StockPharmaceutical Standards
CAS No.5302-36-3
Molecular FormulaC18H15ClN4S
Molecular Weight354.86 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(((5-(2-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile CAS 5302-36-3 chemical structure

Description

The occurrence of 4-(((5-(2-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 4-(((5-(2-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile (CAS 5302-36-3), a certified reference material (molecular formula C18H15ClN4S, MW 354.86 g/mol) for analytical method development and quality control.

Based on its molecular formula C18H15ClN4S, 4-(((5-(2-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 354.86 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

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 FormulaC18H15ClN4S
Molecular Weight354.86 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)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1958
Halogen ContentCl-containing
Nitrogen Atoms4
Sulfur Atoms1

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