2-((4-Allyl-5-(2,4-dichlorophenyl)-4h-1,2,4-triazol-3-yl)thio)acetic acid CAS 313251-00-2

Purity 97%+In StockPharmaceutical Standards
CAS No.313251-00-2
Molecular FormulaC13H11Cl2N3O2S
Molecular Weight344.22 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((4-Allyl-5-(2,4-dichlorophenyl)-4h-1,2,4-triazol-3-yl)thio)acetic acid CAS 313251-00-2 chemical structure

Description

2-((4-Allyl-5-(2,4-dichlorophenyl)-4h-1,2,4-triazol-3-yl)thio)acetic acid (CAS 313251-00-2) is a high-purity analytical reference standard with the molecular formula C13H11Cl2N3O2S and a molecular weight of 344.22 g/mol.

2-((4-Allyl-5-(2,4-dichlorophenyl)-4h-1,2,4-triazol-3-yl)thio)acetic acid (C13H11Cl2N3O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC13H11Cl2N3O2S
Molecular Weight344.22 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms1

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