2-chloro-3-methanesulfonylpropanenitrile CAS 1854-80-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1854-80-4
Molecular FormulaC4H6ClNO2S
Molecular Weight167.61 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-chloro-3-methanesulfonylpropanenitrile CAS 1854-80-4 chemical structure

Description

The occurrence of 2-chloro-3-methanesulfonylpropanenitrile 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.

2-chloro-3-methanesulfonylpropanenitrile (CAS 1854-80-4), molecular formula C4H6ClNO2S and molecular weight 167.61 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, 2-chloro-3-methanesulfonylpropanenitrile is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 167.61 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.

As a certified reference material (CRM), 2-chloro-3-methanesulfonylpropanenitrile 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 FormulaC4H6ClNO2S
Molecular Weight167.61 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)
StabilityLight-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)1957
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms1

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