1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate is an organosulfur compound with the molecular formula C9H6N2S3 and CAS number 21564-17-0. This chemical features a benzothiazole ring system connected to a thiocyanate group through a sulfanylmethyl bridge. With a molecular weight of 238.4 g/mol, it belongs to the class of heterocyclic compounds containing multiple sulfur atoms. The substance is classified as hazardous with acute toxicity properties and requires careful handling due to its dangerous classification under CLP regulations.

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate is a solid compound at room temperature with a molecular weight of 238.4 g/mol. The molecule contains three sulfur atoms within its C9H6N2S3 structure, contributing to its unique chemical behavior. As an organosulfur compound with both benzothiazole and thiocyanate functional groups, it exhibits specific reactivity patterns. The presence of multiple heteroatoms (nitrogen and sulfur) influences its solubility characteristics and chemical stability. Detailed physical properties such as melting point and solubility data should be confirmed through technical documentation.

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate is primarily used as a chemical intermediate in organic synthesis and pharmaceutical research. Its benzothiazole structure makes it valuable in the development of biologically active compounds and specialty chemicals. The compound may serve as a building block for more complex molecules in medicinal chemistry applications. Due to its specific molecular structure containing both thiocyanate and benzothiazole moieties, it can be utilized in various chemical transformations and research applications requiring these functional groups.

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate requires strict safety precautions due to its Acute Tox. 2 and 4 classifications. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work in a well-ventilated area or under fume hood to avoid inhalation. The substance causes skin and eye irritation and may cause skin sensitization. Avoid direct contact with skin, eyes, and mucous membranes. Use proper handling techniques and ensure emergency procedures are readily available.

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and properly labeled according to CLP regulations. Store away from heat sources, direct sunlight, and ignition sources. Due to its acute toxicity classification, ensure storage in a secure location with restricted access. Maintain appropriate temperature conditions and avoid exposure to moisture or reactive chemicals. Regular inspection of storage containers is recommended to ensure integrity and prevent contamination or degradation.

In case of skin contact with 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate, immediately remove contaminated clothing and wash 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 while holding eyelids open. If inhaled, move person to fresh air immediately. Due to its acute toxicity classification, seek immediate medical attention in all cases of exposure. Do not induce vomiting if ingested. Contact poison control center or emergency services immediately for professional medical advice.

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate must be disposed of as hazardous waste according to local and national environmental regulations. Due to its acute toxicity and environmental hazard classification (Aquatic Acute 1), it cannot be disposed of through regular waste streams. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Avoid release to environment, sewers, or water systems. Empty containers should also be treated as hazardous waste. Consult local environmental authorities for specific disposal requirements and approved disposal facilities in your region.

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate is classified under ADR Class 6.1 (Toxic substances), Packing Group II, indicating significant toxicity hazards during transport. Shipments must comply with ADR regulations for toxic substances, requiring appropriate UN-specification packaging, proper labeling with GHS06 and GHS09 pictograms, and dangerous goods documentation. Only authorized carriers trained in hazardous materials transport should handle shipments. Packages must be properly marked, labeled, and accompanied by transport documents indicating the toxic nature of the substance and emergency response information.

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate is subject to European REACH and CLP regulations due to its hazardous classification. The substance is not currently listed as a Substance of Very High Concern (SVHC). Under CLP, it requires classification as Acute Tox. 2 and 4, Skin Irrit. 2, Eye Irrit. 2, Skin Sens. 1, and Aquatic Acute 1, with appropriate labeling including 'Danger' signal word and GHS06/GHS09 pictograms. Transport is regulated under ADR as Class 6.1 toxic substance. Users must comply with occupational safety regulations and environmental protection requirements.

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate is available through OYSI, a specialized European distributor of chemical products. As professional chemical suppliers, OYSI can provide this compound with proper documentation, safety data sheets, and regulatory compliance for European markets. Their expertise in hazardous chemical distribution ensures proper handling, packaging, and delivery according to ADR transport regulations. Contact OYSI directly for availability, technical specifications, and ordering information. They can also provide guidance on regulatory requirements and safe handling procedures for this toxic substance.