Ethyl 5-fluorobenzo[b]thiophene-2-carboxylate CAS 13771-69-2

Purity 97%+In StockPharmaceutical Standards
CAS No.13771-69-2
Molecular FormulaC11H9FO2S
Molecular Weight224.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 5-fluorobenzo[b]thiophene-2-carboxylate CAS 13771-69-2 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Ethyl 5-fluorobenzo[b]thiophene-2-carboxylate.

Ethyl 5-fluorobenzo[b]thiophene-2-carboxylate (CAS 13771-69-2), molecular formula C11H9FO2S and molecular weight 224.25 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Ethyl 5-fluorobenzo[b]thiophene-2-carboxylate (C11H9FO2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 224.25 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.

As a certified reference material (CRM), Ethyl 5-fluorobenzo[b]thiophene-2-carboxylate 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 FormulaC11H9FO2S
Molecular Weight224.25 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.)1960
Halogen ContentF-containing
Sulfur Atoms1

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