Description

2-(3-Bromo-Phenyl)-4,4,4-Trifluoro-3-Oxo-Butyronitrile is a versatile and high-value fluorinated organic intermediate. This compound is critical for the synthesis of complex molecules, particularly in the pharmaceutical and agrochemical sectors, where the introduction of trifluoromethyl and cyano groups can dramatically alter biological activity and metabolic stability. It is primarily sought after by R&D chemists and process development scientists working on novel active ingredients, including kinase inhibitors and advanced crop protection agents.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of trifluoromethyl-substituted drug candidates, especially in oncology and CNS therapeutic areas.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides and insecticides, leveraging the stability imparted by the fluorine atoms.
• Material Science Research: Serves as a precursor for specialty polymers and liquid crystals where specific electronic properties are required.
• Chemical Biology Probes: Employed in the development of molecular probes and tags for studying enzyme mechanisms and protein interactions.
• Custom Synthesis & Contract Manufacturing: A critical starting material for fine chemical manufacturers offering bespoke synthesis services to the life sciences industry.

Basic Information

Product Name	2-(3-Bromo-Phenyl)-4,4,4-Trifluoro-3-Oxo-Butyronitrile
CAS No.	954238-40-5
Molecular Formula	C11H5BrF3NO
Molecular Weight	304.06 g/mol
Synonyms	3'-Bromo-4,4,4-trifluoro-3-oxobutanenitrile; 3-Bromophenyl 4,4,4-trifluoro-3-oxobutyronitrile; 4,4,4-Trifluoro-3-oxo-2-(3-bromophenyl)butyronitrile; 2-(3-Bromophenyl)-4,4,4-trifluoro-3-oxobutanenitrile; 3-Oxo-2-(3-bromophenyl)-4,4,4-trifluorobutyronitrile; (3-Bromophenyl)(cyanoacetyl)trifluoromethane
EINECS	Contact for details

Quality Control

Our 2-(3-Bromo-Phenyl)-4,4,4-Trifluoro-3-Oxo-Butyronitrile is produced under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure high purity and batch-to-batch consistency suitable for sensitive synthetic applications. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with each shipment.

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). The compound is moisture-sensitive; keep the container tightly sealed in a dry environment.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	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.