(2,6-dibromo-4-cyanophenyl) octanoate

(2,6-dibromo-4-cyanophenyl) octanoate is an organic chemical compound with the molecular formula C15H17Br2NO2 and CAS number 1689-99-2. This substance features a phenyl ring substituted with two bromine atoms and a cyano group, esterified with octanoic acid. With a molecular weight of 403.11 g/mol, it is classified as a hazardous substance requiring careful handling due to its toxicity and environmental impact.

(2,6-dibromo-4-cyanophenyl) octanoate is a brominated aromatic ester compound that typically appears as a solid at room temperature. The presence of two bromine atoms significantly increases its molecular weight and density. The octanoate ester chain provides lipophilic characteristics, while the cyano and bromo substituents on the aromatic ring influence its chemical reactivity and stability. Specific physical properties like melting point and solubility depend on purity and crystalline form.

(2,6-dibromo-4-cyanophenyl) octanoate is primarily used as an intermediate in organic synthesis and pharmaceutical research. Its brominated aromatic structure makes it valuable for cross-coupling reactions and as a building block in medicinal chemistry. The compound may also serve in agrochemical development and specialty chemical manufacturing. Due to its specific substitution pattern, it finds applications in the synthesis of more complex molecules requiring selective functionalization.

(2,6-dibromo-4-cyanophenyl) octanoate must be handled with extreme caution due to its Acute Tox. 3-4 classification and skin sensitization properties. Essential PPE includes chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin contact and inhalation. The substance requires professional handling procedures due to its reproductive toxicity (Repr. 2) and high aquatic toxicity.

(2,6-dibromo-4-cyanophenyl) octanoate should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed and protected from light and moisture. Due to its high aquatic toxicity classification, prevent environmental release through proper containment. Store separately from oxidizing agents, strong bases, and reactive metals. Temperature-controlled storage may be necessary to maintain stability and prevent degradation of the brominated aromatic structure.

Immediate action is required upon contact with (2,6-dibromo-4-cyanophenyl) octanoate due to its acute toxicity. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. If inhaled, move to fresh air immediately. In case of eye contact, flush with clean water for 15 minutes. Seek immediate medical attention for all exposure routes, especially given the substance's reproductive toxicity and skin sensitization potential.

(2,6-dibromo-4-cyanophenyl) octanoate must be disposed of as hazardous waste through licensed waste management facilities due to its acute toxicity and high environmental hazard classification. The substance cannot be discharged to sewers or the environment given its Aquatic Acute 1 and Chronic 1 ratings. Incineration at appropriate temperatures or other approved destruction methods must be used. Follow local and European waste regulations, including proper waste classification and documentation.

(2,6-dibromo-4-cyanophenyl) octanoate is classified under ADR Class 6.1 (Toxic substances), Packing Group III for transportation. This classification reflects its acute toxicity properties and requires appropriate dangerous goods packaging, labeling, and documentation. Transport must comply with ADR/RID regulations for toxic substances, including proper packaging specifications, hazard labels, and transport documents. Only authorized carriers experienced in handling Class 6.1 materials should transport this substance.

(2,6-dibromo-4-cyanophenyl) octanoate is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification. The substance displays multiple hazard classifications including reproductive toxicity (Repr. 2), acute toxicity, and environmental hazards, requiring specific safety data sheets and risk assessments. While not currently listed as SVHC, its hazard profile may trigger additional regulatory oversight. Industrial users must comply with occupational exposure limits and environmental protection measures.

(2,6-dibromo-4-cyanophenyl) octanoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this substance to qualified industrial customers with proper safety documentation and regulatory compliance support. Given the compound's hazardous classification and regulatory requirements, procurement is limited to professional users with appropriate handling capabilities and waste management systems. Contact OYSI directly for availability, technical specifications, and regulatory guidance for your specific application requirements.