5-(2-Fluorophenyl)-4-phenyl-4h-1,2,4-triazole-3-thiol CAS 311784-46-0

Purity 97%+In StockPharmaceutical Standards
CAS No.311784-46-0
Molecular FormulaC14H10FN3S
Molecular Weight271.31 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(2-Fluorophenyl)-4-phenyl-4h-1,2,4-triazole-3-thiol CAS 311784-46-0 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 5-(2-Fluorophenyl)-4-phenyl-4h-1,2,4-triazole-3-thiol.

5-(2-Fluorophenyl)-4-phenyl-4h-1,2,4-triazole-3-thiol (CAS 311784-46-0), molecular formula C14H10FN3S and molecular weight 271.31 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C14H10FN3S, 5-(2-Fluorophenyl)-4-phenyl-4h-1,2,4-triazole-3-thiol 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 271.31 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC14H10FN3S
Molecular Weight271.31 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
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.)2025
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms1

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