2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile CAS 42780-92-7

Purity 97%+In StockPharmaceutical Standards
CAS No.42780-92-7
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile CAS 42780-92-7 chemical structure

Description

2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile (CAS 42780-92-7) is a high-purity analytical reference standard with the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol.

The molecular framework of 2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile (C16H18N2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC16H18N2
Molecular Weight238.33 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1969
Nitrogen Atoms2

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