Ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate

Ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate is an organic compound with the molecular formula C13H22N4O3S and CAS number 110895-43-7. This triazole derivative has a molecular weight of 314.41 g/mol and contains a tert-butyl group, a dimethylcarbamoyl moiety, and an ethyl acetate functionality. It is classified as a hazardous substance with acute toxicity and aquatic toxicity properties.

Ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate is an organic compound with molecular formula C13H22N4O3S and molecular weight 314.41 g/mol. The compound features a triazole ring system with sulfur linkage and ester functionality. As an organic ester containing multiple functional groups, it likely exhibits moderate polarity and may have limited water solubility due to its hydrophobic tert-butyl and ethyl groups.

Ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. The triazole moiety makes it valuable for developing fungicides, pharmaceuticals, and other bioactive compounds. Its specific structure suggests applications in research and development for creating new chemical entities with potential biological activity, particularly in medicinal chemistry and crop protection product development.

Ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate requires careful handling due to its Acute Tox. 3 classification and Danger signal word. Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion. Implement proper hygiene measures and emergency procedures. Handle only by trained personnel familiar with hazardous chemical protocols.

Ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate 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. Store separately from oxidizing agents and strong bases due to potential reactivity. Ensure proper labeling with hazard pictogrammes GHS06 and GHS09. Implement appropriate containment measures to prevent environmental release given its aquatic toxicity classification.

In case of skin contact with ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate, immediately remove contaminated clothing and rinse with plenty of water for at least 15 minutes. For eye contact, flush immediately with water for 15-20 minutes. If inhaled, move to fresh air immediately. If swallowed, do not induce vomiting and seek immediate medical attention. Given its Acute Tox. 3 classification, prompt medical evaluation is essential for all exposure routes.

Ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate must be disposed of through authorized hazardous waste facilities in accordance with local, national, and EU regulations. Due to its aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1), prevent any release to water systems or environment. Container disposal must follow hazardous waste protocols. Incineration at approved high-temperature facilities is typically the preferred disposal method for organic compounds of this type.

Ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate is classified under ADR Class 6.1 (toxic substances), Packing Group II, indicating moderate toxicity requiring specific transport precautions. Use approved packaging and labeling with proper hazard markings including GHS06 and GHS09 pictogrammes. Transport documentation must include proper shipping names and hazard classifications. Carriers must be trained in dangerous goods handling and emergency response procedures for toxic substances.

Ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate is subject to EU CLP regulation requiring classification as Acute Tox. 3 and aquatic toxicity categories. It falls under REACH registration requirements for chemical substances. The compound is not currently listed as an SVHC (Substance of Very High Concern). Transport regulations under ADR Class 6.1 apply. Users must comply with occupational health and safety regulations for handling toxic substances.

Ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate is available through OYSI, a European distributor of specialty chemicals. OYSI provides this compound to qualified industrial and research customers across Europe with appropriate safety documentation and regulatory compliance. As a hazardous substance requiring specialized handling, purchase is typically restricted to professional users with proper facilities and training. Contact OYSI directly for availability, technical specifications, and safety data sheets.