Description

3,4-Dichlorobenzoylacetonitrile is a versatile halogenated aromatic nitrile building block of significant importance in advanced organic synthesis. Its molecular structure, featuring both a benzoyl and an acetonitrile group flanked by chlorine atoms, makes it a critical intermediate for constructing complex heterocyclic and pharmaceutical scaffolds. This compound is essential for researchers and manufacturers in the agrochemical and pharmaceutical industries, where it is used to develop new active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of various heterocyclic compounds, including pyrazoles and isoxazoles, which are core structures in many active pharmaceutical ingredients (APIs).
• Agrochemical Synthesis: Serves as a vital building block for developing novel herbicides, fungicides, and insecticides, leveraging the bioactivity of the dichlorophenyl moiety.
• Ligand and Catalyst Development: Used in coordination chemistry to create specialized ligands for metal-catalyzed cross-coupling and other organic transformations.
• Material Science Research: Employed in the development of organic electronic materials and liquid crystals due to its rigid, polarizable aromatic core.
• Custom Synthesis and R&D: A valuable starting material for contract research organizations (CROs) and fine chemical companies engaged in custom synthesis projects.

Basic Information

Product Name	3,4-Dichlorobenzoylacetonitrile
CAS No.	4640-68-0
Molecular Formula	C9H5Cl2NO
Molecular Weight	214.05 g/mol
Synonyms	1-(3,4-Dichlorophenyl)-3-oxobutanenitrile; 3,4-Dichloro-ω-cyanacetophenone; 3',4'-Dichlorobenzoylacetonitrile; 4,5-Dichlorobenzoylacetonitrile; (3,4-Dichlorobenzoyl)acetonitrile; 3-Oxo-3-(3,4-dichlorophenyl)propanenitrile; Butanenitrile, 1-(3,4-dichlorophenyl)-3-oxo-
EINECS	225-074-8

Quality Control

Our 3,4-Dichlorobenzoylacetonitrile is produced under strict quality management systems to ensure batch-to-batch consistency and high purity. Each lot undergoes comprehensive analytical testing, including HPLC, GC, and NMR, to confirm identity and purity. A Certificate of Analysis (COA) detailing all specifications is provided with every shipment. We adhere to cGMP principles where applicable to support our customers in regulated industries.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive); therefore, the container must be kept tightly sealed after opening to prevent degradation due to moisture absorption.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	92 - 96 °C
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals (as Pb)	≤ 20 ppm

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