4-Allyl-5-(1-(2,4-dichlorophenoxy)ethyl)-4H-1,2,4-triazole-3-thiol CAS 882260-26-6

Purity 97%+In StockPharmaceutical Standards
CAS No.882260-26-6
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Allyl-5-(1-(2,4-dichlorophenoxy)ethyl)-4H-1,2,4-triazole-3-thiol CAS 882260-26-6 chemical structure

Description

4-Allyl-5-(1-(2,4-dichlorophenoxy)ethyl)-4H-1,2,4-triazole-3-thiol (CAS 882260-26-6), molecular formula C13H13Cl2N3OS and molecular weight 330.23 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution, 4-Allyl-5-(1-(2,4-dichlorophenoxy)ethyl)-4H-1,2,4-triazole-3-thiol is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 330.23 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 FormulaC13H13Cl2N3OS
Molecular Weight330.23 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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms1

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