4-(2,2,2-Trifluoroethyl)benzoic acid CAS 1176282-86-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1176282-86-2
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(2,2,2-Trifluoroethyl)benzoic acid CAS 1176282-86-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 204.15 g/mol gives 4-(2,2,2-Trifluoroethyl)benzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 4-(2,2,2-Trifluoroethyl)benzoic acid (CAS 1176282-86-2), a certified reference material (molecular formula C9H7F3O2, MW 204.15 g/mol) for analytical method development and quality control.

Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 4-(2,2,2-Trifluoroethyl)benzoic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 204.15 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.

As a certified reference material (CRM), 4-(2,2,2-Trifluoroethyl)benzoic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentF-containing

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