Sodium 1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate CAS 127-39-9

Purity 97%+In StockPharmaceutical Standards
CAS No.127-39-9
Molecular FormulaC12H21O7S
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Sodium 1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate CAS 127-39-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 332.34 g/mol gives Sodium 1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Sodium 1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate (CAS 127-39-9) is a high-purity analytical reference standard with the molecular formula C12H21O7SNa and a molecular weight of 332.34 g/mol.

Based on its molecular formula C12H21O7SNa, Sodium 1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 332.34 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry.

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 FormulaC12H21O7S Na
Molecular Weight332.34 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityHygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)2.5
CAS Registry Year (est.)1957
Sulfur Atoms1

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