4-(3-Oxobenzo[d]isothiazol-2(3H)-yl)benzoic acid CAS 78471-84-8

Purity 97%+In StockPharmaceutical Standards
CAS No.78471-84-8
Molecular FormulaC14H9NO3S
Molecular Weight271.29 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(3-Oxobenzo[d]isothiazol-2(3H)-yl)benzoic acid CAS 78471-84-8 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 4-(3-Oxobenzo[d]isothiazol-2(3H)-yl)benzoic acid.

4-(3-Oxobenzo[d]isothiazol-2(3H)-yl)benzoic acid (CAS 78471-84-8) is a high-purity analytical reference standard with the molecular formula C14H9NO3S and a molecular weight of 271.29 g/mol.

The molecular framework of 4-(3-Oxobenzo[d]isothiazol-2(3H)-yl)benzoic acid (C14H9NO3S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. 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 presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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-(3-Oxobenzo[d]isothiazol-2(3H)-yl)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 FormulaC14H9NO3S
Molecular Weight271.29 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1979
Nitrogen Atoms1
Sulfur Atoms1

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