2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione

2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione is an organic chemical compound with the molecular formula C14H13NO7S and CAS number 104206-82-8. This substance has a molecular weight of 339.32 g/mol and belongs to the class of substituted cyclohexanediones. It contains both nitro and methylsulfonyl functional groups attached to a benzoyl moiety, which is linked to a cyclohexane-1,3-dione backbone, making it a complex aromatic-aliphatic compound.

2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione is a solid compound at room temperature with a molecular weight of 339.32 g/mol. The presence of nitro, sulfonyl, and carbonyl groups suggests it likely exhibits polar characteristics. The compound's solubility and specific physical properties such as melting point, color, and odor would depend on the specific grade and purity. Its complex structure with multiple polar functional groups indicates potential for hydrogen bonding and moderate to high polarity.

2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione is primarily used as an intermediate in chemical synthesis and pharmaceutical research. Its complex structure makes it valuable for developing agrochemicals, pharmaceuticals, or specialty chemicals. The compound may serve as a building block in organic synthesis, particularly in the development of bioactive molecules. Its specific applications depend on the reactivity of its functional groups, including the cyclohexanedione core and the substituted benzoyl moiety.

2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione requires careful handling due to its classification as Repr. 2 and STOT RE 2. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin and eye contact, and do not ingest. The compound carries GHS08 and GHS09 pictograms, indicating health and environmental hazards that require strict safety protocols during use.

2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed and protected from light and moisture. Store separately from strong oxidizing agents, reducing agents, and bases due to the presence of nitro and carbonyl groups. The storage area should be equipped with appropriate spill control measures and emergency equipment. Maintain proper inventory management and ensure containers are properly labeled according to GHS requirements.

In case of skin contact with 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione, immediately wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, rinse thoroughly with water for at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air and seek medical advice if symptoms persist. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.

2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione must be disposed of as hazardous waste due to its environmental classification (Aquatic Acute 1, Aquatic Chronic 1). Contact licensed hazardous waste disposal companies for proper treatment and disposal. Do not discharge into drains, soil, or water bodies. Follow local and national regulations for hazardous chemical waste disposal. Ensure proper documentation and tracking of waste disposal activities. Empty containers may also require special disposal procedures depending on local regulations.

2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. This classification requires specific packaging, labeling, and documentation according to international transport regulations. Use UN-approved packaging and ensure proper hazard labels are affixed. Transport vehicles must comply with ADR requirements, and drivers need appropriate training. Shipping documentation must include the correct technical name, UN number, and hazard class information.

2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione is subject to various chemical regulations including REACH registration requirements for import/manufacture in the EU. The compound is classified under CLP regulation with specific hazard classifications (Repr. 2, STOT RE 2, Aquatic Acute 1, Aquatic Chronic 1). While not currently listed as an SVHC, it requires proper safety data sheets, hazard labeling, and risk assessments. Users must comply with occupational health and environmental protection regulations in their respective jurisdictions.

2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to research institutions, pharmaceutical companies, and chemical manufacturers across Europe. As a professional chemical distributor, OYSI ensures proper handling, packaging, and documentation compliance with European regulations. Contact OYSI directly for availability, specifications, and technical support regarding this specialized chemical compound for your specific applications.