Ammonium 2-(ethoxycarbonyl)benzenesulfonate CAS 164078-39-1

Purity 97%+In StockPharmaceutical Standards
CAS No.164078-39-1
Molecular FormulaC9H9O5S
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ammonium 2-(ethoxycarbonyl)benzenesulfonate CAS 164078-39-1 chemical structure

Description

The occurrence of Ammonium 2-(ethoxycarbonyl)benzenesulfonate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Ammonium 2-(ethoxycarbonyl)benzenesulfonate (CAS 164078-39-1) is a high-purity analytical reference standard with the molecular formula C9H9O5SH4N and a molecular weight of 247.26 g/mol.

Structurally, Ammonium 2-(ethoxycarbonyl)benzenesulfonate (C9H9O5SH4N) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 247.26 g/mol, it falls into the medium-molecular-weight range. 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.

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 FormulaC9H9O5S H4N
Molecular Weight247.26 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2003
Nitrogen Atoms1
Sulfur Atoms1

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