Description

1-Ethynyl-2-Nitro-Benzene is a specialized aromatic compound featuring both a nitro group and an ethynyl (acetylene) functional group, making it a valuable building block in advanced organic synthesis. This unique bifunctional structure allows it to serve as a key precursor in the development of complex molecules, particularly in pharmaceutical and agrochemical research. It is primarily sought after by R&D chemists and process development scientists in the fine chemical, pharmaceutical, and material science industries for constructing novel molecular architectures.

Application

• Pharmaceutical Intermediate: A crucial precursor in the synthesis of active pharmaceutical ingredients (APIs), especially those containing nitroaromatic or acetylene-linked structures.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides where its functional groups enable specific modes of action.
• Material Science Research: Serves as a monomer or cross-linking agent in the development of advanced polymers, conductive materials, and metal-organic frameworks (MOFs).
• Organic Synthesis Building Block: Utilized in click chemistry reactions, Sonogashira couplings, and other palladium-catalyzed cross-coupling reactions to form carbon-carbon bonds.
• Dye and Pigment Intermediate: Acts as a starting material for synthesizing complex nitroaromatic dyes and specialty colorants.
• Ligand Synthesis: Employed in the preparation of specialized ligands for catalysis and coordination chemistry.

Basic Information

Product Name	1-Ethynyl-2-Nitro-Benzene
CAS No.	16433-96-8
Molecular Formula	C8H5NO2
Molecular Weight	147.13 g/mol
Synonyms	2-Nitro-1-ethynylbenzene; 2-Nitrophenylacetylene; o-Nitrophenylacetylene; (2-Nitrophenyl)ethyne; 1-Ethynyl-2-nitrobenzene; 2-Ethynylnitrobenzene; 2-Nitrobenzeneacetylene
EINECS	Contact for details

Quality Control

Our 1-Ethynyl-2-Nitro-Benzene is manufactured under strict quality management systems to ensure batch-to-batch consistency and high purity. We provide comprehensive analytical data, including HPLC purity, identity confirmation (IR, NMR), and impurity profiling. A Certificate of Analysis (COA) detailing all specifications is supplied with each shipment. Our quality commitment aligns with cGMP principles for advanced intermediates, ensuring reliability for your critical synthesis steps.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). Keep away from heat, sparks, open flames, and incompatible materials such as strong oxidizing agents and strong bases. Due to the presence of acetylene and nitro functional groups, handle and store with appropriate precautions for stability.

Specification

Item	Specification
Appearance	Yellow to orange crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
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.