2-(4-Fluorobenzylidene)-4,4-dimethyl-3-oxopentanenitrile CAS 391649-86-8

Purity 97%+In StockPharmaceutical Standards
CAS No.391649-86-8
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(4-Fluorobenzylidene)-4,4-dimethyl-3-oxopentanenitrile CAS 391649-86-8 chemical structure

Description

The occurrence of 2-(4-Fluorobenzylidene)-4,4-dimethyl-3-oxopentanenitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-(4-Fluorobenzylidene)-4,4-dimethyl-3-oxopentanenitrile (CAS 391649-86-8) is a high-purity analytical reference standard with the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol.

2-(4-Fluorobenzylidene)-4,4-dimethyl-3-oxopentanenitrile (C14H14FNO) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.

CATO manufactures 2-(4-Fluorobenzylidene)-4,4-dimethyl-3-oxopentanenitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms1

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