Description

4-Chloro-2-Ethynyl-1-Methylbenzene is a high-value, multi-functional aromatic building block featuring both a chloro and an ethynyl substituent. This unique structure makes it a critical intermediate for advanced organic synthesis, enabling the construction of complex molecular architectures. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the development of new drug candidates, particularly for creating arylacetylene scaffolds common in kinase inhibitors and other targeted therapies.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where its halogen and alkyne groups allow for strategic functionalization.
• Material Science Research: Employed in the synthesis of specialized polymers, liquid crystals, and organic electronic materials due to its rigid, conjugated backbone.
• Cross-Coupling Reactions: An excellent substrate for Sonogashira, Suzuki, and other palladium-catalyzed cross-coupling reactions to form complex biaryl and extended π-systems.
• Chemical Biology Probes: Utilized in the creation of molecular probes and tags via click chemistry (CuAAC) reactions, leveraging its terminal alkyne group.
• Fine Chemical Production: Acts as a versatile precursor for synthesizing dyes, pigments, and other performance chemicals requiring specific aromatic substitution patterns.

Basic Information

Product Name	4-Chloro-2-Ethynyl-1-Methylbenzene
CAS No.	74331-72-9
Molecular Formula	C9H7Cl
Molecular Weight	150.60 g/mol
Synonyms	1-Chloro-4-ethynyl-2-methylbenzene; 2-Methyl-4-chlorophenylacetylene; 4-Chloro-2-methylphenylacetylene; 4-Chloro-o-tolylacetylene; (4-Chloro-2-methylphenyl)ethyne; 74331-72-9; 4-Chloro-2-ethynyltoluene
EINECS	Contact for details

Quality Control

Our production of 4-Chloro-2-Ethynyl-1-Methylbenzene adheres to stringent in-process controls and final release testing to ensure batch-to-batch consistency and high purity. Quality is verified through modern analytical techniques including GC, HPLC, and NMR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality management systems.

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, open flames, and strong oxidizing agents. For long-term storage, consider under an inert atmosphere to maintain optimal stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or solid
Identification (IR)	Conforms to structure
Purity (GC/HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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