Description

1-Bromo-4-Ethynyl-2-(Trifluoromethyl)Benzene, also known as 2-Bromo-5-Ethynylbenzotrifluoride, is a high-value, multi-functional aromatic building block that combines a reactive ethynyl group with bromine and trifluoromethyl substituents. This unique structure makes it a critical intermediate for constructing complex molecules in advanced material science and pharmaceutical research. It is primarily sought after by R&D chemists and process development scientists in the agrochemical, pharmaceutical, and specialty polymer industries for applications requiring precise molecular architecture and fluorinated motifs.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the synthesis of active pharmaceutical ingredients (APIs), particularly those incorporating trifluoromethyl groups for enhanced metabolic stability and bioavailability.
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides, where the ethynyl and bromo groups enable efficient cross-coupling reactions to build diverse chemical scaffolds.
• Material Science & OLED Development: Acts as a precursor for conjugated polymers and small molecule organic semiconductors used in organic light-emitting diodes (OLEDs) and electronic devices.
• Ligand & Catalyst Design: Employed in the preparation of specialized ligands for catalysis, leveraging the ethynyl group for "click chemistry" or Sonogashira coupling to create complex molecular frameworks.
• Fluorinated Liquid Crystal Research: Utilized as a building block in the synthesis of fluorinated liquid crystal compounds for display technologies.
• Cross-Coupling Reactions: The bromine atom is an excellent handle for palladium-catalyzed reactions (e.g., Suzuki, Heck, Stille), while the ethynyl group is ideal for Sonogashira coupling, offering dual reactivity.

Basic Information

Product Name	1-Bromo-4-Ethynyl-2-(Trifluoromethyl)Benzene / 2-Bromo-5-Ethynylbenzotrifluoride
CAS No.	142476-42-4
Molecular Formula	C9H4BrF3
Molecular Weight	249.03 g/mol
Synonyms	2-Bromo-5-ethynyl-α,α,α-trifluorotoluene; 1-Bromo-4-ethynyl-2-(trifluoromethyl)benzene; 5-Ethynyl-2-bromobenzotrifluoride; 2-Bromo-5-ethynylbenzotrifluoride; 4-Bromo-1-ethynyl-2-(trifluoromethyl)benzene; Benzene, 1-bromo-4-ethynyl-2-(trifluoromethyl)-; (2-Bromo-5-(trifluoromethyl)phenyl)acetylene
EINECS	Contact for details

Quality Control

Our production of 1-Bromo-4-Ethynyl-2-(Trifluoromethyl)Benzene adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity for research and scale-up applications. Each lot undergoes comprehensive analysis using advanced techniques such as GC, HPLC, NMR, and MS. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting purity, identity, and impurity profiles to support your regulatory and R&D documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from heat, sparks, and open flame. Due to the light-sensitive nature of the compound, amber glass containers are recommended for long-term storage.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 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.