Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate

Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate is an organic chemical compound with the molecular formula C12H11NO5 and CAS number 39562-17-9. This substance has a molecular weight of 249.22 g/mol and belongs to the family of nitrophenyl derivatives. It is classified as a skin sensitizer and presents acute and chronic aquatic toxicity. The compound requires careful handling due to its hazardous properties and environmental impact potential.

Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate is a solid organic compound at room temperature with a molecular weight of 249.22 g/mol. The presence of the nitrophenyl group typically imparts a yellow to orange coloration to such compounds. Its structure contains both ester and ketone functional groups, influencing its solubility characteristics. The compound's physical properties are determined by its aromatic nitro structure combined with the aliphatic ester chain.

Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate is primarily used as an intermediate in organic synthesis and pharmaceutical research. Its nitrophenyl structure makes it valuable for developing various chemical compounds through condensation and reduction reactions. The compound serves as a building block in medicinal chemistry for synthesizing potential drug candidates. It may also find applications in the production of specialty chemicals and advanced materials in industrial settings.

Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate must be handled with appropriate personal protective equipment due to its skin sensitization properties. Wear protective gloves, safety glasses, and suitable clothing to prevent skin contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. The substance requires GHS07 and GHS09 pictogram warnings, indicating health and environmental hazards. Always follow good laboratory practices and ensure proper training before handling this compound.

Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from direct sunlight. Keep the substance away from incompatible materials and heat sources to prevent degradation or unwanted reactions. Storage areas must be designed to prevent environmental release due to its aquatic toxicity classification. Maintain proper inventory records and ensure containers are properly labeled with hazard information and safety precautions.

In case of skin contact with methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate, 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 at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air and seek medical advice if symptoms persist. Due to its skin sensitizing properties, monitor for allergic reactions and consult a physician if irritation develops.

Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate must be disposed of through licensed hazardous waste disposal companies due to its environmental toxicity classification. The substance cannot be discharged into sewers, waterways, or soil due to its acute and chronic aquatic toxicity. Incineration at appropriate high-temperature facilities is typically the preferred disposal method. Always consult local environmental regulations and waste disposal authorities for specific requirements and ensure proper documentation of disposal activities.

Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Packages must display proper hazard labels and be accompanied by transport documents. Drivers and handlers must be trained in dangerous goods handling procedures. Ensure compliance with national and international transport regulations for hazardous materials.

Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate is subject to REACH registration requirements for manufacture, import, or use in quantities above one tonne per year in the EU. The substance must be classified and labeled according to CLP regulation due to its skin sensitization and aquatic toxicity properties. It is not currently listed as a Substance of Very High Concern (SVHC). Companies must maintain safety data sheets and ensure proper risk assessment and management measures are implemented.

Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate is available through OYSI, a specialized European distributor of chemical products. OYSI provides this compound to research institutions, pharmaceutical companies, and industrial customers across Europe. As an established chemical distributor, OYSI ensures proper handling, packaging, and documentation compliance with European regulations. Contact OYSI directly for availability, technical specifications, and regulatory documentation to support your specific application requirements.