4-((3-Bromobenzylidene)amino)-3-(2-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione CAS 676245-22-0

Purity 97%+In StockPharmaceutical Standards
CAS No.676245-22-0
Molecular FormulaC15H10BrFN4S
Molecular Weight377.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-((3-Bromobenzylidene)amino)-3-(2-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione CAS 676245-22-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 377.23 g/mol gives 4-((3-Bromobenzylidene)amino)-3-(2-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-((3-Bromobenzylidene)amino)-3-(2-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 676245-22-0), molecular formula C15H10BrFN4S and molecular weight 377.23 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C15H10BrFN4S, 4-((3-Bromobenzylidene)amino)-3-(2-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 377.23 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

As a certified reference material (CRM), 4-((3-Bromobenzylidene)amino)-3-(2-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC15H10BrFN4S
Molecular Weight377.23 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.)1985
Halogen ContentF/Br-containing
Nitrogen Atoms4
Sulfur Atoms1

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