tert-Butyl 2,4,5-trifluorobenzoate CAS 182875-05-4

Purity 97%+In StockPharmaceutical Standards
CAS No.182875-05-4
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

tert-Butyl 2,4,5-trifluorobenzoate CAS 182875-05-4 chemical structure

Description

The occurrence of tert-Butyl 2,4,5-trifluorobenzoate is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

tert-Butyl 2,4,5-trifluorobenzoate (CAS 182875-05-4) is a high-purity analytical reference standard with the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol.

Based on its molecular formula C11H11F3O2, tert-Butyl 2,4,5-trifluorobenzoate contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 232.20 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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), tert-Butyl 2,4,5-trifluorobenzoate 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 FormulaC11H11F3O2
Molecular Weight232.20 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 chloroform, dichloromethane, ethyl acetate, DMSO
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.)2009
Halogen ContentF-containing

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