3-Oxo-2,3-dihydrobenzofuran-2-carbonitrile CAS 1640-99-9

Purity 97%+In StockPharmaceutical Standards
CAS No.1640-99-9
Molecular FormulaC9H5NO2
Molecular Weight159.14 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Oxo-2,3-dihydrobenzofuran-2-carbonitrile CAS 1640-99-9 chemical structure

Description

The occurrence of 3-Oxo-2,3-dihydrobenzofuran-2-carbonitrile is closely related to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

3-Oxo-2,3-dihydrobenzofuran-2-carbonitrile (CAS 1640-99-9), molecular formula C9H5NO2 and molecular weight 159.14 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 3-Oxo-2,3-dihydrobenzofuran-2-carbonitrile (C9H5NO2) is characterized by an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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

Molecular FormulaC9H5NO2
Molecular Weight159.14 g/mol
AppearancePale yellow to yellow crystalline powder. (faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1957
Nitrogen Atoms1

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