Description

3,5-Difluorobenzoylacetonitrile is a versatile fluorinated aromatic building block, specifically a difluorinated benzoylacetonitrile derivative. This compound is valued for its unique reactivity profile, where the electron-withdrawing fluorine atoms and the active methylene group enable its use in sophisticated heterocyclic synthesis and as a key precursor for advanced materials. It is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and functional intermediates.

Application

• Pharmaceutical Intermediate: A critical precursor in the synthesis of fluorinated drug candidates, including kinase inhibitors and other small molecule therapeutics where fluorine substitution modulates bioavailability and metabolic stability.
• Agrochemical Synthesis: Used in the development of new-generation herbicides, fungicides, and insecticides, leveraging the fluorine atoms to enhance biological activity and environmental persistence.
• Ligand and Catalyst Development: Serves as a starting material for creating specialized chelating ligands and organocatalysts used in asymmetric synthesis and metal-organic frameworks (MOFs).
• Material Science Research: Employed in the synthesis of fluorinated organic semiconductors, liquid crystals, and polymers for electronic and optical applications.
• Chemical Research & Development: A valuable reagent for constructing complex heterocyclic systems like pyrazoles, isoxazoles, and pyrimidines through cyclocondensation reactions.
• Fluorine Chemistry Studies: Acts as a model substrate for investigating novel fluorination methodologies and the effects of difluoro substitution on reaction pathways.

Basic Information

Product Name	3,5-Difluorobenzoylacetonitrile
CAS No.	842140-51-6
Molecular Formula	C10H5F2NO
Molecular Weight	193.15 g/mol
Synonyms	1-(3,5-Difluorophenyl)-3-oxobutanenitrile; 3-Oxo-3-(3,5-difluorophenyl)propanenitrile; 3,5-Difluorobenzoylacetonitrile; 3,5-Difluorobenzoylmethyl cyanide; (3,5-Difluorobenzoyl)acetonitrile; 3,5-Difluoro-ω-cyanacetophenone; 2-(3,5-Difluorobenzoyl)acetonitrile
EINECS	Contact for details

Quality Control

Our 3,5-Difluorobenzoylacetonitrile is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure high chemical purity and identity confirmation. Certificates of Analysis (COA) detailing all specifications are provided with every shipment. We support cGMP compliance for pharmaceutical applications and can tailor purity grades to meet specific project requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (typically 15-25°C). The compound may be moisture-sensitive; keep the container tightly sealed in a dry environment. Keep away from strong oxidizing agents, strong bases, and strong acids.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥97.0% (Standard Grade)
Purity (GC)	≥97.0%
Melting Point	Contact for details
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.