1-Methyl-3-(4-sulfobutyl)-1H-imidazol-3-ium 4-methylbenzenesulfonate CAS 700370-10-1

Purity 97%+In StockPharmaceutical Standards
CAS No.700370-10-1
Molecular FormulaC8H15N2O3S
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-Methyl-3-(4-sulfobutyl)-1H-imidazol-3-ium 4-methylbenzenesulfonate CAS 700370-10-1 chemical structure

Description

The occurrence of 1-Methyl-3-(4-sulfobutyl)-1H-imidazol-3-ium 4-methylbenzenesulfonate 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.

1-Methyl-3-(4-sulfobutyl)-1H-imidazol-3-ium 4-methylbenzenesulfonate (CAS 700370-10-1), molecular formula C8H15N2O3SC7H7O3S and molecular weight 390.47 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, 1-Methyl-3-(4-sulfobutyl)-1H-imidazol-3-ium 4-methylbenzenesulfonate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 390.47 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC8H15N2O3S C7H7O3S
Molecular Weight390.47 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Nitrogen Atoms2
Sulfur Atoms2

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