(4-cyano-2,6-diiodophenyl) octanoate

(4-cyano-2,6-diiodophenyl) octanoate is an organic chemical compound with the molecular formula C15H17I2NO2 and CAS number 3861-47-0. This substance features a phenyl ring substituted with cyano and diiodo groups, connected to an octanoate ester chain. With a molecular weight of 497.11 g/mol, it is classified as a hazardous substance requiring careful handling due to its toxicological properties and environmental impact.

(4-cyano-2,6-diiodophenyl) octanoate is a solid organic compound at room temperature with a molecular weight of 497.11 g/mol. The presence of two iodine atoms and the cyano group significantly influences its physical properties, including density and melting point. The octanoate ester chain provides some lipophilic character, affecting its solubility profile. Specific physical data such as melting point, boiling point, and solubility parameters should be obtained from detailed safety data sheets.

(4-cyano-2,6-diiodophenyl) octanoate is primarily used as an intermediate in pharmaceutical and fine chemical synthesis. Its unique structure, featuring both cyano and diiodo substituents, makes it valuable for specialized organic transformations and as a building block in medicinal chemistry research. The compound may also find applications in materials science and advanced chemical manufacturing processes where iodinated aromatic compounds are required.

(4-cyano-2,6-diiodophenyl) octanoate requires careful handling due to its Acute Tox. 3, Eye Irrit. 2, and Skin Sens. 1 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact, inhalation, and ingestion. Ensure proper training on hazard communication and emergency procedures before handling this substance.

(4-cyano-2,6-diiodophenyl) octanoate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Due to its Repr. 2 classification and environmental hazards, segregate from incompatible materials and oxidizing agents. Storage areas must be equipped with appropriate spill containment and emergency equipment. Maintain proper inventory control and ensure containers are properly labeled according to GHS requirements with danger signal words.

Immediate action is required upon contact with (4-cyano-2,6-diiodophenyl) octanoate due to its toxic and irritant properties. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting. Seek immediate medical attention in all cases and provide safety data sheet information to medical personnel.

(4-cyano-2,6-diiodophenyl) octanoate must be disposed of through licensed hazardous waste disposal facilities due to its toxic and environmentally hazardous classification (Aquatic Acute 1, Aquatic Chronic 1). Never discharge into sewers, waterways, or soil. Contaminated packaging should be treated as hazardous waste. Follow local and national waste disposal regulations, including proper waste classification codes. Consider recovery or recycling options where economically and environmentally feasible through specialized chemical waste management companies.

(4-cyano-2,6-diiodophenyl) octanoate is classified under ADR Class 6.1 (Toxic substances), Packing Group III for transportation purposes. This classification requires specific packaging, labeling, and documentation requirements for road transport. Vehicles must display appropriate hazard placards and carry emergency response information. Drivers require ADR certification for dangerous goods transport. Ensure proper shipping papers, emergency contact information, and compliance with international transport regulations for safe and legal transportation.

(4-cyano-2,6-diiodophenyl) octanoate is subject to multiple regulatory frameworks including REACH regulation for registration and evaluation within the European Union. The substance falls under CLP regulation for classification, labeling, and packaging due to its hazardous properties. While not currently listed as a SVHC (Substance of Very High Concern), its Repr. 2 classification may trigger additional regulatory scrutiny. Compliance with occupational health regulations and environmental protection laws is mandatory for commercial use.

(4-cyano-2,6-diiodophenyl) octanoate is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides reliable supply chain management, regulatory compliance support, and technical expertise for hazardous chemicals across European markets. Their distribution network ensures proper handling, storage, and transportation according to ADR and other applicable regulations. Contact OYSI directly for availability, technical specifications, and regulatory documentation requirements for your specific application needs.