2-(3-Mercaptophenyl)acetonitrile CAS 685569-60-2

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-(3-Mercaptophenyl)acetonitrile.

2-(3-Mercaptophenyl)acetonitrile (CAS 685569-60-2), molecular formula C8H7NS and molecular weight 149.21 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, 2-(3-Mercaptophenyl)acetonitrile is typically off-white to pale yellow liquid. Its solid-state physicochemical attributes — including a molecular weight of 149.21 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

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