5-(3,3-Difluoropyrrolidin-1-yl)-1H-indole CAS 1779136-91-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1779136-91-2
Molecular FormulaC12H12F2N2
Molecular Weight222.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(3,3-Difluoropyrrolidin-1-yl)-1H-indole CAS 1779136-91-2 chemical structure

Description

The occurrence of 5-(3,3-Difluoropyrrolidin-1-yl)-1H-indole is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

5-(3,3-Difluoropyrrolidin-1-yl)-1H-indole (CAS 1779136-91-2) is a high-purity analytical reference standard with the molecular formula C12H12F2N2 and a molecular weight of 222.23 g/mol.

The molecular framework of 5-(3,3-Difluoropyrrolidin-1-yl)-1H-indole (C12H12F2N2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC12H12F2N2
Molecular Weight222.23 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1994
Halogen ContentF-containing
Nitrogen Atoms2

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