Description

Benzene, 1-(1,3-Butadiynyl)-3-Methyl- (9Ci) is a specialized aromatic compound featuring a conjugated diyne substituent, making it a valuable building block in advanced organic synthesis. Its unique molecular architecture provides a versatile scaffold for constructing complex molecules and functional materials. This high-purity intermediate is essential for research and development in the pharmaceutical and advanced materials sectors, where precise chemical structure is critical.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the research and development of novel active pharmaceutical ingredients (APIs), particularly for compounds requiring rigid, conjugated frameworks.
• Organic Synthesis Building Block: Used in cross-coupling reactions, cycloadditions, and polymerization processes to create complex molecular architectures.
• Material Science Research: Acts as a precursor in the development of organic semiconductors, conductive polymers, and nonlinear optical (NLO) materials due to its extended π-conjugation.
• Agrochemical Development: Employed in the synthesis of experimental herbicides, fungicides, and plant growth regulators that benefit from its specific aromatic-diyne structure.
• Ligand and Catalyst Preparation: Utilized for constructing specialized ligands in coordination chemistry and homogeneous catalysis.
• Academic and R&D Laboratories: A critical reagent for methodological development and exploratory chemistry in university and industrial research settings.

Basic Information

Product Name	Benzene, 1-(1,3-Butadiynyl)-3-Methyl- (9Ci)
CAS No.	38177-85-4
Molecular Formula	C11H8
Molecular Weight	140.18 g/mol
Synonyms	1-Methyl-3-(1,3-butadiynyl)benzene; 3-Methylphenylbutadiyne; m-Tolylbutadiyne; 1-(Buta-1,3-diyn-1-yl)-3-methylbenzene; 3-Methyl-1-(1,3-butadiynyl)benzene; 3-Ethynyl-1-ethynyl-2-methylbenzene (tautomer); Butadiynyl-methylbenzene
EINECS	Contact for details

Quality Control

Our Benzene, 1-(1,3-Butadiynyl)-3-Methyl- (9Ci) is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical characterization, including HPLC, GC, NMR, and FTIR, to ensure identity, purity, and consistency. Certificates of Analysis (COA) with full traceability are provided for every shipment, supporting your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (15-25°C). This compound is light-sensitive (store away from light) and should be handled under an inert atmosphere to prevent degradation. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or solid
Identification (IR)	Conforms to structure
Purity (HPLC/GC)	≥ 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.