2-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile CAS 96729-80-5

Purity 97%+In StockPharmaceutical Standards
CAS No.96729-80-5
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile CAS 96729-80-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 205.21 g/mol gives 2-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile (CAS 96729-80-5) is a high-purity analytical reference standard with the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol.

Owing to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage, 2-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 205.21 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.

As a certified reference material (CRM), 2-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile 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 FormulaC11H11NO3
Molecular Weight205.21 g/mol
AppearanceOff-white to pale yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Nitrogen Atoms1

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