1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
C6H7F3N4OS
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Identification
- CAS Number
- 25366-23-8
- EC Number
- 246-901-4
- UN Number
- 2588
- Index Number
- 616-021-00-9
- PubChem CID
- 32921
Physical-chemical properties
- Molecular Formula
- C6H7F3N4OS
- Molar Mass
- 240.21 g/mol
- IUPAC Name
- 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
Chemical Identifiers
- InChI
- InChI=1S/C6H7F3N4OS/c1-10-4(14)13(2)5-12-11-3(15-5)6(7,8)9/h1-2H3,(H,10,14)
- InChI Key
- BBJPZPLAZVZTGR-UHFFFAOYSA-N
Overview
1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea (CAS 25366-23-8) is a specialized organofluorine compound featuring a thiadiazole ring structure with enhanced chemical stability and biological activity. This trifluoromethyl-substituted thiadiazole derivative represents an important class of heterocyclic compounds widely utilized in pharmaceutical and agricultural applications. The molecular structure combines a dimethylurea moiety with a 1,3,4-thiadiazole ring system, where the trifluoromethyl group significantly influences both the compound's physicochemical properties and biological activity profile. With a molecular weight of 240.21 g/mol and formula C6H7F3N4OS, this compound exhibits distinctive properties derived from the electron-withdrawing effects of the CF3 group and the heteroaromatic thiadiazole core. The substance presents moderate toxicity concerns, classified under Acute Toxicity Category 4, requiring careful handling protocols in industrial applications. Its environmental classification as Aquatic Acute 1 and Aquatic Chronic 1 indicates significant aquatic toxicity, necessitating appropriate containment measures. The compound falls under ADR transport classification 6.1, reflecting its toxic properties during shipping and storage. Primary industrial applications include pharmaceutical intermediate synthesis, where its thiadiazole scaffold serves as a building block for bioactive compounds, and specialized chemical research applications requiring fluorinated heterocycles. Unlike simpler organophosphorus compounds such as dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidene-lambda5-phosphane, this thiadiazole derivative offers unique reactivity patterns particularly valuable in medicinal chemistry applications. OYSI maintains reliable supply chains for this specialized compound, supporting European pharmaceutical and chemical research industries with consistent quality and regulatory compliance.
Safety & Classification
Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 2588 |
| ADR Class | 6.1 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | Thiazafluron (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is an organofluorine compound with the molecular formula C6H7F3N4OS and CAS number 25366-23-8. This chemical substance has a molecular weight of 240.21 g/mol and belongs to the thiadiazole urea family. It is classified as acutely toxic (Category 4) and poses significant environmental hazards to aquatic life, requiring careful handling in industrial applications.
What are the physicochemical properties of 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is a solid compound at room temperature with a molecular weight of 240.21 g/mol. The presence of trifluoromethyl groups typically confers chemical stability and influences solubility characteristics. The compound contains sulfur, nitrogen, and fluorine atoms within its thiadiazole ring structure, which affects its reactivity and physical properties. Specific melting point, boiling point, and detailed solubility data should be obtained from technical datasheets.
What is 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea used for?
1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is primarily used as an intermediate in chemical synthesis and pharmaceutical research. The compound's thiadiazole structure makes it valuable in developing agrochemicals, pharmaceuticals, and specialty chemicals. Its trifluoromethyl group enhances biological activity and metabolic stability, making it useful in drug discovery processes. Industrial applications may include use as a building block for more complex molecules in fine chemical manufacturing.
How to handle 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea safely?
1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea requires careful handling due to its Acute Toxicity Category 4 classification. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation. Avoid contact with skin, eyes, and clothing. Ensure proper training on GHS07 and GHS09 hazard pictograms before handling this substance.
How to store 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea correctly?
1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed and properly labeled with appropriate hazard warnings. Store away from heat sources, ignition sources, and direct sunlight. Due to its environmental hazard classification, ensure containment measures are in place to prevent accidental release. Follow local regulations for storage of toxic substances and maintain appropriate inventory records.
What to do in case of contact with 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
Immediate first aid measures are essential following contact with 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. In case of eye contact, rinse immediately with plenty of clean water for at least 15 minutes. If inhaled, move to fresh air immediately. If swallowed, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet and contact poison control if necessary.
How to dispose of 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea appropriately?
1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea must be disposed of as hazardous waste due to its toxicity and environmental hazard classifications. Contact licensed waste disposal companies specializing in chemical waste management. Never dispose of this substance through regular waste streams or sewage systems due to its aquatic toxicity. Follow local, national, and EU waste regulations including the Waste Framework Directive. Maintain proper documentation of disposal activities and use appropriate waste codes.
How to transport 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is classified as ADR Class 6.1 (toxic substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Transport containers must display proper hazard labels and shipping names. Drivers and handlers must be trained in dangerous goods transport regulations. Ensure compliance with international transport regulations including IMDG for sea transport and IATA for air transport where applicable.
Is 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea subject to specific regulations?
1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is subject to REACH registration requirements and CLP classification regulations within the European Union. The substance is not currently listed as a Substance of Very High Concern (SVHC). It must be classified and labeled according to its hazard categories: Acute Toxicity 4 and Aquatic toxicity. Companies handling this substance must comply with occupational safety regulations and environmental protection laws. Regular safety assessments and proper risk management measures are mandatory.
Where to buy 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea in Europe?
1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is available through OYSI, a specialized European distributor of chemical products. OYSI provides reliable supply chains for laboratory and industrial customers across Europe. When purchasing, ensure the supplier provides complete safety documentation, certificates of analysis, and proper regulatory compliance documentation. Contact OYSI directly for availability, technical specifications, and regulatory support to ensure proper handling and compliance with European chemical regulations.
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ADR Consulting for 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.