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

2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione is an organic chemical compound with CAS number 104206-82-8 and molecular formula C14H13NO7S. 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 core structure.

2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione is a solid organic compound with a molecular weight of 339.32 g/mol. The substance contains multiple polar functional groups including nitro, sulfonyl, and carbonyl groups, which influence its solubility characteristics. Due to its complex aromatic-aliphatic structure with electron-withdrawing groups, it exhibits specific chemical reactivity patterns typical of substituted diketones and nitroaromatic compounds.

2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its diketone structure and reactive functional groups make it valuable for developing herbicides, particularly as a precursor in the synthesis of HPPD (4-hydroxyphenylpyruvate dioxygenase) inhibitors. The compound may also serve as a building block in organic synthesis for creating more complex molecules in research and development applications.

2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione requires careful handling due to its reproductive toxicity and organ toxicity hazards. Essential personal protective equipment includes chemical-resistant gloves, safety glasses, and protective clothing. Work should be conducted in well-ventilated areas or under fume extraction systems. Avoid inhalation, skin contact, and ingestion. The substance carries GHS08 and GHS09 pictograms, indicating health and environmental hazards requiring appropriate safety measures.

2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep away from heat sources, direct sunlight, and moisture to prevent decomposition. Store separately from strong oxidizers, bases, and reducing agents due to the presence of nitro and sulfonyl groups. Ensure proper labeling with hazard information and maintain appropriate temperature conditions to preserve chemical stability.

In case of skin contact with 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with plenty of clean water for 15-20 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention while providing the safety data sheet to medical personnel.

2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione must be disposed of as hazardous waste according to local and national environmental regulations. The substance is classified as Aquatic Acute 1 and Aquatic Chronic 1, indicating severe environmental toxicity. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never discharge into drains, water sources, or soil. Contaminated packaging should also be treated as hazardous waste and disposed of through approved channels.

2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation. This classification indicates it poses a moderate hazard during transport. Proper packaging, labeling, and documentation according to ADR regulations are required. Ensure packages are properly sealed, marked with the correct shipping name, and accompanied by appropriate transport documents. Use approved packaging materials and follow carrier-specific requirements for Class 9 substances.

2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione is subject to various chemical regulations including REACH registration requirements in Europe and CLP classification obligations. The substance is classified as Repr. 2, STOT RE 2, and Aquatic toxicity categories, requiring specific labeling and safety measures. While not currently listed as SVHC, it must comply with standard chemical safety regulations. Users must ensure proper risk assessments, safety data sheet availability, and worker protection measures are implemented.

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 pharmaceutical, agrochemical, and research industries across Europe with proper regulatory compliance and technical support. As a professional chemical distributor, OYSI ensures appropriate packaging, documentation, and safety data sheets accompany all shipments. Contact OYSI directly for availability, specifications, and pricing information for your specific requirements.