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

Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate is an organic chemical compound with CAS number 39562-17-9 and molecular formula C12H11NO5. This compound has a molecular weight of 249.22 g/mol and belongs to the class of nitrophenyl derivatives. It is classified as a skin sensitizer and poses environmental hazards to aquatic organisms, requiring careful handling and appropriate safety measures during use.

Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate is an organic ester compound with a molecular weight of 249.22 g/mol and formula C12H11NO5. As a nitrophenyl derivative containing both ester and ketone functional groups, it typically exists as a solid at room temperature. The compound's structure includes a conjugated system due to the methylidene bridge between the nitrophenyl and oxobutanoate moieties, which may influence its color and stability properties.

Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate is primarily used as an intermediate in organic synthesis and pharmaceutical research. This compound serves as a building block for the synthesis of more complex molecules due to its reactive functional groups including the ester, ketone, and nitro functionalities. It may also be employed in academic research for studying organic reaction mechanisms and in the development of new chemical processes requiring nitrophenyl derivatives.

Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate requires careful handling due to its skin sensitization properties. 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 avoid inhalation. Avoid direct skin and eye contact. The compound displays GHS07 and GHS09 pictograms, indicating health and environmental hazards that require proper safety precautions during handling and use.

Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from heat sources and direct sunlight. Keep containers away from incompatible materials such as strong oxidizing agents and reducing agents. Store in original labeled containers and ensure proper segregation from other chemicals. Given its environmental hazard classification, prevent any release to the environment and maintain appropriate containment measures in storage areas.

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 plenty of 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 immediately. Due to its skin sensitization properties, monitor for allergic reactions and seek medical advice if symptoms develop.

Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate must be disposed of according to local, national, and international environmental regulations due to its aquatic toxicity classification. Do not discharge to sewers, waterways, or the environment. Contact licensed waste disposal companies for proper treatment and disposal. The compound should be treated as hazardous waste and incinerated at appropriate high-temperature facilities equipped with emission control systems to prevent environmental contamination.

Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. This classification indicates it poses a lower degree of danger during transport but still requires proper packaging, labeling, and documentation. Use appropriate UN-specification packaging and ensure proper marking and labeling according to ADR regulations. Transport vehicles must comply with Class 9 requirements and carry appropriate emergency response information.

Methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate is subject to European REACH and CLP regulations but is not classified as a Substance of Very High Concern (SVHC). The compound must be handled according to its hazard classification as Skin Sensitizer Category 1 and Aquatic Acute and Chronic Category 1. Users must comply with safety data sheet requirements, proper labeling with GHS07 and GHS09 pictograms, and implement appropriate risk management measures for occupational and environmental protection.

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