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 thiadiazole-based compound with notable trifluoromethyl functionality and urea linkage properties. This technical-grade chemical compound belongs to the thiadiazole family, characterized by its unique heterocyclic structure containing sulfur and nitrogen atoms. The molecular formula C6H7F3N4OS reflects the presence of trifluoromethyl groups, which typically impart enhanced chemical stability and bioactivity to organic molecules. With a molecular weight of 240.21 g/mol, this compound exhibits distinctive physicochemical properties that make it valuable in various industrial applications. The safety profile of 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea requires careful handling protocols. Classified under GHS pictograms GHS07 and GHS09 with a "Warning" signal word, it presents acute toxicity hazards (Category 4) and significant aquatic toxicity concerns. The compound falls under ADR transport class 6.1, indicating its toxic nature during shipping and storage. Professional handling equipment and appropriate containment measures are essential when working with this material. Industrial applications of this thiadiazole derivative typically include specialized chemical synthesis, pharmaceutical intermediates, and agrochemical formulations. Unlike simpler compounds such as dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidene-lambda5-phosphane, this urea-linked thiadiazole offers unique reactivity patterns due to its heterocyclic structure. The trifluoromethyl group enhances its potential utility in developing compounds with improved metabolic stability and biological activity profiles. OYSI maintains reliable supply chains for 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea, ensuring consistent availability for European industrial customers requiring this specialized chemical intermediate.
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 organic compound with the molecular formula C6H7F3N4OS and CAS number 25366-23-8. This chemical substance belongs to the thiadiazole urea family and has a molecular weight of 240.21 g/mol. It contains a trifluoromethyl group attached to a thiadiazole ring system, combined with a dimethyl urea moiety, giving it distinctive chemical properties and potential applications in various industrial sectors.
What are the physico-chemical 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 characterized by its molecular formula C6H7F3N4OS and molecular weight of 240.21 g/mol. The presence of the trifluoromethyl group (-CF3) typically imparts enhanced chemical stability and lipophilicity to the molecule. The thiadiazole ring system combined with the urea functionality suggests moderate polarity. Specific physical properties such as melting point, boiling point, and solubility data would require detailed analysis for precise characterization.
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 typically used in specialized industrial applications where thiadiazole derivatives are required. The compound's structure suggests potential applications in pharmaceutical intermediates, agrochemical synthesis, or as a building block for more complex chemical compounds. The trifluoromethyl group enhances biological activity and chemical stability, making it valuable in research and development applications. Specific end-uses depend on the particular requirements of chemical manufacturers and research institutions.
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 Tox. 4 classification and aquatic toxicity. Essential safety measures include wearing appropriate personal protective equipment such as safety goggles, chemical-resistant gloves, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to avoid inhalation. The GHS07 pictogram indicates harmful effects, so direct contact with skin, eyes, and ingestion must be prevented through proper handling procedures.
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 tightly sealed containers in a cool, dry, and well-ventilated area away from incompatible materials. Due to its aquatic toxicity classification (GHS09), storage areas must be equipped with appropriate containment measures to prevent environmental release. The compound should be kept away from heat sources, direct sunlight, and moisture. Storage facilities should comply with local regulations for toxic substances and include appropriate labeling and safety documentation.
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 for 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea exposure include: for skin contact, wash immediately with plenty of soap and water; for eye contact, rinse thoroughly with clean water for at least 15 minutes; if inhaled, move to fresh air immediately; if ingested, do not induce vomiting and seek medical attention. Due to its Acute Tox. 4 classification, prompt medical consultation is recommended for any significant exposure. Remove contaminated clothing and wash before reuse.
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 through licensed waste management companies due to its toxic and environmentally hazardous properties. The compound's Aquatic Acute 1 and Aquatic Chronic 1 classifications require special handling to prevent environmental contamination. Disposal methods typically include high-temperature incineration in approved facilities. Empty containers should also be treated as hazardous waste. Always consult local environmental regulations and waste disposal authorities for specific requirements and approved disposal facilities.
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, Packing Group III, indicating it is a toxic substance with moderate danger during transport. Transportation requires appropriate UN-approved packaging, proper labeling with toxic substance markings, and documentation including safety data sheets. Vehicles must display appropriate hazard placards, and drivers require ADR certification for dangerous goods transport. The substance must be secured to prevent spillage and kept separate from incompatible materials during transit.
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 standard EU chemical regulations including REACH registration requirements and CLP classification obligations. The substance is not currently identified as a Substance of Very High Concern (SVHC). Its Acute Tox. 4 and aquatic toxicity classifications require compliance with occupational health and environmental protection regulations. Companies handling this substance must maintain safety data sheets, implement appropriate risk management measures, and ensure proper worker training and protection according to EU chemical safety legislation.
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 technical chemicals. As an established chemical supplier, OYSI can provide this compound with appropriate documentation including certificates of analysis, safety data sheets, and regulatory compliance information. The company serves various European markets and can assist with technical specifications, packaging requirements, and regulatory guidance. Contact OYSI directly for availability, technical specifications, and delivery options for your specific application requirements.
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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.