4-Iodo-3-sulfobenzoic acid CAS 1312586-89-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1312586-89-2
Molecular FormulaC7H5IO5S
Molecular Weight328.08 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Iodo-3-sulfobenzoic acid CAS 1312586-89-2 chemical structure

Description

The occurrence of 4-Iodo-3-sulfobenzoic acid is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, iodine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

4-Iodo-3-sulfobenzoic acid (CAS 1312586-89-2) is a high-purity analytical reference standard with the molecular formula C7H5IO5S and a molecular weight of 328.08 g/mol.

Based on its molecular formula C7H5IO5S, 4-Iodo-3-sulfobenzoic acid contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, iodine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 328.08 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

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 FormulaC7H5IO5S
Molecular Weight328.08 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO, water
StabilityMay oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; 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.)1990
Halogen ContentI-containing
Sulfur Atoms1

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