4-Allyl-5-(1-(2,4-difluorophenoxy)ethyl)-4H-1,2,4-triazole-3-thiol CAS 861233-70-7

Purity 97%+In StockPharmaceutical Standards
CAS No.861233-70-7
Molecular FormulaC13H13F2N3OS
Molecular Weight297.32 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Allyl-5-(1-(2,4-difluorophenoxy)ethyl)-4H-1,2,4-triazole-3-thiol CAS 861233-70-7 chemical structure

Description

The occurrence of 4-Allyl-5-(1-(2,4-difluorophenoxy)ethyl)-4H-1,2,4-triazole-3-thiol is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

4-Allyl-5-(1-(2,4-difluorophenoxy)ethyl)-4H-1,2,4-triazole-3-thiol (CAS 861233-70-7), molecular formula C13H13F2N3OS and molecular weight 297.32 g/mol, is a CATO reference standard with documented purity and traceability.

4-Allyl-5-(1-(2,4-difluorophenoxy)ethyl)-4H-1,2,4-triazole-3-thiol (C13H13F2N3OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC13H13F2N3OS
Molecular Weight297.32 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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms1

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