2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile CAS 400076-77-9

Purity 97%+In StockPharmaceutical Standards
CAS No.400076-77-9
Molecular FormulaC16H11FN4
Molecular Weight278.28 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile CAS 400076-77-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 278.28 g/mol gives 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile (CAS 400076-77-9) is a high-purity analytical reference standard with the molecular formula C16H11FN4 and a molecular weight of 278.28 g/mol.

Structurally, 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile (C16H11FN4) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 278.28 g/mol, it falls into the medium-molecular-weight range. 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.

As a certified reference material (CRM), 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)succinonitrile 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 FormulaC16H11FN4
Molecular Weight278.28 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)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms4

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