Description

4-Chloro-1-Ethynyl-2-(Trifluoromethyl)-Benzene is a high-value, multi-functional aromatic building block characterized by its unique combination of a reactive ethynyl group and a chloro-trifluoromethyl substituted benzene ring. This compound matters for its versatility in advanced organic synthesis, enabling the construction of complex molecular architectures through cross-coupling and cycloaddition reactions. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and advanced materials.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel drug candidates, particularly in oncology and CNS therapeutic areas.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides and pesticides with enhanced efficacy.
• Material Science: Serves as a monomer or cross-linking agent in the synthesis of specialty polymers and advanced organic frameworks (MOFs/COFs).
• Ligand & Catalyst Development: Employed in the design of novel ligands for transition metal catalysis and organocatalysts.
• Fluorinated Compound Research: Essential for studying structure-activity relationships (SAR) in fluorinated bioactive molecules.
• Chemical Biology Probes: Utilized in the synthesis of tagged molecules for target identification and binding studies.

Basic Information

Product Name	4-Chloro-1-Ethynyl-2-(Trifluoromethyl)-Benzene
CAS No.	1231244-86-2
Molecular Formula	C9H4ClF3
Molecular Weight	204.58 g/mol
Synonyms	1-Chloro-4-ethynyl-2-(trifluoromethyl)benzene; 4-Chloro-2-(trifluoromethyl)phenylacetylene; 2-(Trifluoromethyl)-4-chlorophenylacetylene; 4-Chloro-α,α,α-trifluoro-o-ethynyltoluene; 4-Chloro-2-trifluoromethylphenylacetylene; 1-Ethynyl-4-chloro-2-(trifluoromethyl)benzene; (4-Chloro-2-(trifluoromethyl)phenyl)ethyne
EINECS	Contact for details

Quality Control

Our 4-Chloro-1-Ethynyl-2-(Trifluoromethyl)-Benzene is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all specified parameters. Our quality commitment aligns with cGMP principles for advanced intermediates, ensuring reliability for your critical research and scale-up processes.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) in a cool, dry, and well-ventilated place. Recommended storage temperature is 2-8°C for long-term stability. Keep away from heat, sparks, open flames, and oxidizing agents.

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%

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