3-Methylisoxazole-4-sulfonyl chloride CAS 858489-87-9

Purity 97%+In StockPharmaceutical Standards
CAS No.858489-87-9
Molecular FormulaC4H4ClNO3S
Molecular Weight181.60 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Methylisoxazole-4-sulfonyl chloride CAS 858489-87-9 chemical structure

Description

The occurrence of 3-Methylisoxazole-4-sulfonyl chloride is closely related to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

3-Methylisoxazole-4-sulfonyl chloride (CAS 858489-87-9), molecular formula C4H4ClNO3S and molecular weight 181.60 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-Methylisoxazole-4-sulfonyl chloride (C4H4ClNO3S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 181.60 g/mol, it falls into the medium-molecular-weight range. 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.

CATO manufactures 3-Methylisoxazole-4-sulfonyl chloride under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC4H4ClNO3S
Molecular Weight181.60 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, DMSO, water
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1987
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms1

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