2-Cyano-5-methylbenzenesulfonyl chloride CAS 197960-31-9

Purity 97%+In StockPharmaceutical Standards
CAS No.197960-31-9
Molecular FormulaC8H6ClNO2S
Molecular Weight215.66 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Cyano-5-methylbenzenesulfonyl chloride CAS 197960-31-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 215.66 g/mol gives 2-Cyano-5-methylbenzenesulfonyl chloride distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-Cyano-5-methylbenzenesulfonyl chloride (CAS 197960-31-9) is a high-purity analytical reference standard with the molecular formula C8H6ClNO2S and a molecular weight of 215.66 g/mol.

Structurally, 2-Cyano-5-methylbenzenesulfonyl chloride (C8H6ClNO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 215.66 g/mol, it falls into the medium-molecular-weight range. 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.

As a certified reference material (CRM), 2-Cyano-5-methylbenzenesulfonyl chloride meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC8H6ClNO2S
Molecular Weight215.66 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2013
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms1

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