Ethyl 4-(trifluoromethyl)benzo[b]thiophene-2-carboxylate CAS 1209178-96-0

Purity 97%+In StockPharmaceutical Standards
CAS No.1209178-96-0
Molecular FormulaC12H9F3O2S
Molecular Weight274.26 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 4-(trifluoromethyl)benzo[b]thiophene-2-carboxylate CAS 1209178-96-0 chemical structure

Description

The molecular framework of Ethyl 4-(trifluoromethyl)benzo[b]thiophene-2-carboxylate (C12H9F3O2S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

Ethyl 4-(trifluoromethyl)benzo[b]thiophene-2-carboxylate (CAS 1209178-96-0), molecular formula C12H9F3O2S and molecular weight 274.26 g/mol, is a CATO reference standard with documented purity and traceability.

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 FormulaC12H9F3O2S
Molecular Weight274.26 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentF-containing
Sulfur Atoms1

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