Description

1,4-Cyclohexadiene, 3,6-Diethynyl-, trans- (9Ci) is a specialized organic compound featuring a unique diethynyl-substituted cyclohexadiene core structure. This compound serves as a valuable advanced intermediate and building block in synthetic organic chemistry, enabling the construction of complex molecular architectures. It is primarily utilized by research and development teams in the pharmaceutical, agrochemical, and materials science sectors for the development of novel active ingredients and functional polymers.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of complex drug candidates and active pharmaceutical ingredients (APIs).
• Agrochemical Research: Used in the development of novel herbicides, fungicides, and plant growth regulators.
• Polymer & Material Science: Serves as a monomer or cross-linking agent for creating specialty polymers with tailored electronic or mechanical properties.
• Organic Synthesis Building Block: Employed in Diels-Alder reactions and other cycloadditions to construct complex polycyclic frameworks.
• Ligand & Catalyst Development: Utilized for synthesizing novel ligands for transition metal catalysis and organometallic chemistry.
• Academic & Industrial R&D: A critical reagent for exploratory chemistry in university and corporate research laboratories.

Basic Information

Product Name	1,4-Cyclohexadiene, 3,6-Diethynyl-, trans- (9Ci)
CAS No.	591252-04-9
Molecular Formula	C10H8
Molecular Weight	128.17 g/mol
Synonyms	trans-3,6-Diethynyl-1,4-cyclohexadiene; 3,6-Diethynyl-1,4-cyclohexadiene, trans-; 1,4-Cyclohexadiene, 3,6-diethynyl-, (3E,6E)-; (3E,6E)-3,6-Diethynyl-1,4-cyclohexadiene; 3,6-Diethynylcyclohexa-1,4-diene; Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diethyne (related fused system); Diethynyl cyclohexadiene derivative
EINECS	Contact for details

Quality Control

Our 1,4-Cyclohexadiene, 3,6-Diethynyl-, trans- (9Ci) is produced under strict quality control protocols to ensure batch-to-batch consistency and high purity. All products undergo rigorous analytical testing, including HPLC, GC, and NMR, to verify identity and purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment and is available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at controlled room temperature (15-25°C) in a cool, dry, and well-ventilated area. This material is light-sensitive and easily oxidized; prolonged exposure to air or light should be avoided to maintain stability and purity.

Specification

Item	Specification
Appearance	White to off-white solid or crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
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.