Description

Benzonitrile, 4-(1,3-Butadiynyl)- (9Ci) is a specialized organic compound featuring a benzonitrile core substituted with a conjugated butadiynyl group. This unique structure makes it a valuable high-purity building block for advanced material synthesis and pharmaceutical research. It is primarily utilized by R&D chemists and process development scientists in the fine chemical, pharmaceutical, and material science industries for creating novel molecular architectures.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the research and development of new active pharmaceutical ingredients (APIs), particularly those requiring rigid, linear conjugated systems.
• Material Science Research: Used as a precursor for synthesizing advanced organic electronic materials, such as molecular wires, nonlinear optical (NLO) chromophores, and conductive polymers.
• Ligand and Catalyst Development: Acts as a starting material for creating specialized ligands with tailored electronic properties for catalysis and coordination chemistry.
• Academic & Industrial R&D: Employed in exploratory chemistry for constructing complex organic molecules with acetylene linkages, valuable for structure-activity relationship (SAR) studies.
• Fine Chemical Synthesis: Utilized in the multi-step synthesis of specialty chemicals, agrochemicals, and dyes where the diyne-nitrile functionality is required.

Basic Information

Product Name	Benzonitrile, 4-(1,3-Butadiynyl)- (9Ci)
CAS No.	221641-62-9
Molecular Formula	C11H5N
Molecular Weight	151.16 g/mol
Synonyms	4-(Buta-1,3-diyn-1-yl)benzonitrile; p-(1,3-Butadiynyl)benzonitrile; 4-(1,3-Butadiyn-1-yl)benzonitrile; 1-Cyano-4-(1,3-butadiynyl)benzene; Benzonitrile, p-(1,3-butadiynyl)-; 4-Ethynylphenylethynyl cyanide; (4-Cyanophenyl)buta-1,3-diync
EINECS	Contact for details

Quality Control

We supply Benzonitrile, 4-(1,3-Butadiynyl)- (9Ci) in high-purity grades suitable for research and development. Our products undergo rigorous quality testing to ensure batch-to-batch consistency and compliance with customer specifications. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment and is available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (typically 15-25°C). This compound may be light-sensitive; prolonged exposure to light should be avoided.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0% (Area %)
Melting Point	Contact for details

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