2-(2-Fluorophenyl)-2H-1,2,3-triazole-4-carboxylic acid CAS 51306-44-6

Purity 97%+In StockPharmaceutical Standards
CAS No.51306-44-6
Molecular FormulaC9H6FN3O2
Molecular Weight207.16 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(2-Fluorophenyl)-2H-1,2,3-triazole-4-carboxylic acid CAS 51306-44-6 chemical structure

Description

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

2-(2-Fluorophenyl)-2H-1,2,3-triazole-4-carboxylic acid (CAS 51306-44-6), molecular formula C9H6FN3O2 and molecular weight 207.16 g/mol, is a CATO reference standard with documented purity and traceability.

2-(2-Fluorophenyl)-2H-1,2,3-triazole-4-carboxylic acid (C9H6FN3O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine 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. 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.

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 FormulaC9H6FN3O2
Molecular Weight207.16 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1971
Halogen ContentF-containing
Nitrogen Atoms3

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