2-(Cyanoacetyl)-1-benzylpyrrole CAS 77640-05-2

Purity 97%+In StockPharmaceutical Standards
CAS No.77640-05-2
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(Cyanoacetyl)-1-benzylpyrrole CAS 77640-05-2 chemical structure

Description

The occurrence of 2-(Cyanoacetyl)-1-benzylpyrrole is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-(Cyanoacetyl)-1-benzylpyrrole (CAS 77640-05-2) is a high-purity analytical reference standard with the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol.

Structurally, 2-(Cyanoacetyl)-1-benzylpyrrole (C14H12N2O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 224.26 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC14H12N2O
Molecular Weight224.26 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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1979
Nitrogen Atoms2

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