Ethyl 2-(2-acetamido-5-fluoro-4-isothiocyanatophenoxy)acetate

Ethyl 2-(2-acetamido-5-fluoro-4-isothiocyanatophenoxy)acetate is a synthetic organic compound with the molecular formula C13H13FN2O4S and CAS number 147379-38-2. This chemical features a complex structure containing fluorine, acetamido, and isothiocyanate functional groups attached to a phenoxyacetate backbone. With a molecular weight of 312.32 g/mol, it belongs to specialized chemical intermediates used in research and pharmaceutical applications.

Ethyl 2-(2-acetamido-5-fluoro-4-isothiocyanatophenoxy)acetate is a solid compound at room temperature with a molecular weight of 312.32 g/mol. The presence of fluorine and isothiocyanate groups influences its reactivity and solubility characteristics. As an ethyl ester derivative, it typically exhibits moderate solubility in organic solvents. The compound's specific physical properties such as melting point and exact solubility data require experimental determination or supplier specification.

Ethyl 2-(2-acetamido-5-fluoro-4-isothiocyanatophenoxy)acetate is primarily used as a specialized chemical intermediate in pharmaceutical research and organic synthesis. The isothiocyanate functional group makes it valuable for bioconjugation reactions and as a building block in medicinal chemistry. It may serve in the development of fluorinated pharmaceutical compounds or as a reagent in advanced organic transformations requiring selective reactivity patterns.

Ethyl 2-(2-acetamido-5-fluoro-4-isothiocyanatophenoxy)acetate requires standard laboratory safety precautions during handling. Wear appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and lab coats. Work in well-ventilated areas or under fume hoods to avoid inhalation. The compound carries a Warning signal word, indicating moderate hazard level. Avoid direct skin and eye contact, and prevent environmental release due to its aquatic toxicity classification.

Ethyl 2-(2-acetamido-5-fluoro-4-isothiocyanatophenoxy)acetate should be stored in tightly sealed containers in a cool, dry place away from direct sunlight and heat sources. Keep containers in a well-ventilated storage area with appropriate temperature control. Due to the reactive isothiocyanate group, avoid storage near amines, alcohols, or water. Ensure proper labeling with hazard information and maintain inventory records for regulatory compliance.

In case of skin contact with ethyl 2-(2-acetamido-5-fluoro-4-isothiocyanatophenoxy)acetate, immediately wash the affected area with plenty of water for at least 15 minutes and remove contaminated clothing. For eye contact, rinse thoroughly with water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Remove contaminated clothing and wash before reuse. Seek medical attention if irritation persists or if large amounts were involved.

Ethyl 2-(2-acetamido-5-fluoro-4-isothiocyanatophenoxy)acetate must be disposed of through licensed hazardous waste disposal facilities in accordance with local and European regulations. Due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications, prevent any environmental release. Do not pour down drains or dispose of in regular waste. Collect waste in properly labeled containers and arrange pickup through certified waste management companies specializing in chemical disposal.

Ethyl 2-(2-acetamido-5-fluoro-4-isothiocyanatophenoxy)acetate is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Use UN-approved packaging and ensure proper hazard labels are affixed. Transport should be handled by carriers certified for dangerous goods with appropriate vehicle markings and emergency response information readily available.

Ethyl 2-(2-acetamido-5-fluoro-4-isothiocyanatophenoxy)acetate is subject to standard European chemical regulations including REACH and CLP classification requirements. It is not currently listed as a Substance of Very High Concern (SVHC). The compound must comply with environmental protection regulations due to its aquatic toxicity classification. Users must follow proper registration, evaluation, and risk assessment procedures as required by European chemical safety legislation.

Ethyl 2-(2-acetamido-5-fluoro-4-isothiocyanatophenoxy)acetate is available through OYSI, a specialized European distributor of chemical products. As a professional chemical supplier, OYSI provides this specialized intermediate to research institutions, pharmaceutical companies, and industrial users across Europe. Contact OYSI directly for availability, specifications, packaging options, and regulatory documentation required for your specific application and location within Europe.