Description

Benzenepropanenitrile, α-Fluoro-β-Oxo- (9Ci) is a specialized fluorinated nitrile building block of significant interest in advanced organic synthesis. Its unique structure, featuring both a fluorine atom and a reactive oxo group adjacent to the nitrile, makes it a valuable precursor for constructing complex heterocyclic and pharmaceutical intermediates. This compound is primarily utilized by research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors. Its precise reactivity profile enables the synthesis of novel compounds with tailored biological or physical properties.

Application

• Pharmaceutical Intermediate: A key synthon for the development of fluorinated active pharmaceutical ingredients (APIs), particularly in kinase inhibitors and other small-molecule therapeutics.
• Agrochemical Research: Used in the synthesis of novel herbicides, fungicides, and insecticides where the fluorine atom can enhance metabolic stability and bioavailability.
• Advanced Material Precursor: Serves as a building block for functionalized polymers, liquid crystals, and organic electronic materials requiring specific fluorinated motifs.
• Chemical Biology Probes: Employed in the design and synthesis of fluorinated probes and tags for studying biological mechanisms and protein interactions.
• Heterocyclic Chemistry: A versatile starting material for the synthesis of fluorinated pyridines, pyrimidines, and other nitrogen-containing heterocycles.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for client-specific research and scale-up projects.

Basic Information

Item	Detail
Product Name	Benzenepropanenitrile, α-Fluoro-β-Oxo- (9Ci)
CAS No.	343271-85-2
Molecular Formula	C9H6FNO
Molecular Weight	163.15 g/mol
Synonyms	α-Fluoro-β-oxobenzenepropanenitrile; 2-Fluoro-3-oxo-3-phenylpropanenitrile; 3-Oxo-2-fluoro-3-phenylpropanenitrile; (2-Fluoro-3-oxo-3-phenylpropyl) cyanide; Fluorobenzoylacetonitrile; 2-Fluorobenzoylacetonitrile; Phenyl (fluoro)malononitrile oxide precursor; 343271-85-2 (CAS)
EINECS	Contact for details

Quality Control

Our Benzenepropanenitrile, α-Fluoro-β-Oxo- (9Ci) is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with every shipment, documenting all critical quality attributes. Our commitment to quality supports research reproducibility and process development from milligram to kilogram scale.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). Keep away from incompatible materials such as strong bases and fluorides. The container should be kept tightly sealed and stored under an inert atmosphere if long-term stability is required.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.