3-(Trifluoromethoxy)benzoic acid CAS 1014-81-9

Purity 97%+In StockPharmaceutical Standards
CAS No.1014-81-9
Molecular FormulaC8H11F3O3
Molecular Weight212.17 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(Trifluoromethoxy)benzoic acid CAS 1014-81-9 chemical structure

Description

The occurrence of 3-(Trifluoromethoxy)benzoic acid is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 3-(Trifluoromethoxy)benzoic acid (CAS 1014-81-9), a certified reference material (molecular formula C8H11F3O3, MW 212.17 g/mol) for analytical method development and quality control.

Structurally, 3-(Trifluoromethoxy)benzoic acid (C8H11F3O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 212.17 g/mol, it falls into the medium-molecular-weight range. 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 FormulaC8H11F3O3
Molecular Weight212.17 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityHygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)1957
Halogen ContentF-containing

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