1-Ethynyl-4-nitrobenzene(CAS: 937-31-5)

1-Ethynyl-4-nitrobenzene (CAS: 937-31-5) is a crystalline solid with a molecular weight of approximately 186.07 g/mol. It has a solubility of about 0.75 mg/mL in water and is soluble in solvents like ethanol and acetone. The compound is reactive towards nucleophilic substitution and can undergo nitration, halogenation, and reduction reactions.

1-Ethynyl-4-nitrobenzene is commonly synthesized by the nitration of 1-ethynylbenzene. The process typically involves the use of concentrated nitric acid and sulfuric acid as the nitrating agent. The reaction is usually carried out at low temperature to control the selectivity and yield, with an overall yield of around 80-85%.

1-Ethynyl-4-nitrobenzene is primarily used in the pharmaceutical industry for the synthesis of various intermediates and drugs. It also finds applications in the polymer industry for the production of certain types of resins and plastics. Additionally, it can be used in the development of sensors and semiconductors.

1-Ethynyl-4-nitrobenzene should be handled with caution as it can be a skin and eye irritant. Safety precautions include the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handling should be done in a well-ventilated area or a fume hood. In case of a spill, it is recommended to follow the Material Safety Data Sheet (MSDS) guidelines for cleanup and disposal, ensuring proper handling to avoid environmental contamination.