2-Fluoro-2-(1H-imidazol-1-yl)acetic acid CAS 861397-68-4

Purity 97%+In StockPharmaceutical Standards
CAS No.861397-68-4
Molecular FormulaC5H5FN2O2
Molecular Weight144.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Fluoro-2-(1H-imidazol-1-yl)acetic acid CAS 861397-68-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 144.10 g/mol gives 2-Fluoro-2-(1H-imidazol-1-yl)acetic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-Fluoro-2-(1H-imidazol-1-yl)acetic acid (CAS 861397-68-4) is a high-purity analytical reference standard with the molecular formula C5H5FN2O2 and a molecular weight of 144.10 g/mol.

The molecular framework of 2-Fluoro-2-(1H-imidazol-1-yl)acetic acid (C5H5FN2O2) is characterized by an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 FormulaC5H5FN2O2
Molecular Weight144.10 g/mol
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)4.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms2

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