Description

1-(3-Bromo-Phenyl)-2,2-Difluoro-Cyclopropanecarbonitrile is a specialized fluorinated cyclopropane derivative that serves as a high-value synthetic intermediate in advanced organic chemistry. Its unique structure, featuring a bromoaryl group and a difluorocyclopropane ring fused to a nitrile, makes it a versatile building block for constructing complex molecules with tailored properties. This compound is primarily utilized by research and development chemists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients, where the introduction of fluorine atoms and the strained cyclopropane ring can significantly modulate biological activity, metabolic stability, and physicochemical characteristics.

Application

• Pharmaceutical Intermediate: A key precursor in the research and synthesis of new drug candidates, particularly for incorporating the difluorocyclopropane motif which is known to enhance metabolic stability and membrane permeability.
• Agrochemical Research: Used in developing advanced pesticides and herbicides, where the bromine and fluorine substituents can be leveraged for structure-activity relationship (SAR) studies to improve efficacy and environmental profile.
• Material Science Chemistry: Serves as a building block for creating specialty polymers or liquid crystals, where the rigid cyclopropane and polar nitrile group can influence material properties.
• Fluorine Chemistry Library Synthesis: An important reagent for constructing diverse fluorinated compound libraries for high-throughput screening in drug discovery programs.
• Cross-Coupling Reactions: The aryl bromide moiety makes it a suitable substrate for palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Heck) to create more complex biaryl structures.
• Ligand and Catalyst Development: Potential use in the synthesis of novel chiral ligands or organocatalysts that incorporate fluorinated cyclopropane backbones.

Basic Information

Product Name	1-(3-Bromo-Phenyl)-2,2-Difluoro-Cyclopropanecarbonitrile
CAS No.	908333-94-8
Molecular Formula	C10H6BrF2N
Molecular Weight	258.06 g/mol
Synonyms	1-(3-Bromophenyl)-2,2-difluorocyclopropanecarbonitrile; 2,2-Difluoro-1-(3-bromophenyl)cyclopropanecarbonitrile; 3-Bromo-α,α-difluorocyclopropaneacetonitrile; (3-Bromophenyl)-2,2-difluorocyclopropanecarbonitrile; 908333-94-8; 1-(3-Bromo-phenyl)-2,2-difluoro-cyclopropanecarbonitrile
EINECS	Contact for details

Quality Control

Our production of 1-(3-Bromo-Phenyl)-2,2-Difluoro-Cyclopropanecarbonitrile adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity for sensitive synthetic applications. Each lot is characterized using advanced analytical techniques including HPLC, GC, NMR, and MS to confirm identity and quantify purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment. We support cGMP compliance for pharmaceutical development and can tailor quality documentation to meet specific project or regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). The container should be kept tightly sealed in a dry environment to prevent moisture uptake. Keep away from heat, sparks, and open flame.

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%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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