1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea
C13H12F3N5O5S
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Identification
- CAS Number
- 104040-78-0
- UN Number
- 3077
- Index Number
- 016-085-00-2
- PubChem CID
- 93539
Physical-chemical properties
- Molecular Formula
- C13H12F3N5O5S
- Molar Mass
- 407.33 g/mol
- IUPAC Name
- 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea
Chemical Identifiers
- InChI
- InChI=1S/C13H12F3N5O5S/c1-25-8-6-9(26-2)19-11(18-8)20-12(22)21-27(23,24)10-7(13(14,15)16)4-3-5-17-10/h3-6H,1-2H3,(H2,18,19,20,21,22)
- InChI Key
- HWATZEJQIXKWQS-UHFFFAOYSA-N
Overview
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea (CAS 104040-78-0) is a sulfonylurea compound with herbicidal properties and aquatic toxicity characteristics. This specialized heterocyclic compound features a complex molecular structure combining pyrimidine and pyridine ring systems linked through a sulfonylurea bridge. With a molecular formula of C13H12F3N5O5S and molecular weight of 407.33 g/mol, this substance exhibits distinctive chemical properties due to its trifluoromethyl group and methoxy substituents. The presence of multiple nitrogen-containing heterocycles contributes to its biological activity profile. From a safety perspective, this compound is classified under GHS pictogram GHS09 with a "Warning" signal word, indicating moderate hazard levels. The primary safety concerns relate to aquatic environments, where it demonstrates both acute and chronic toxicity (Aquatic Acute 1, Aquatic Chronic 1). Transportation falls under ADR Class 9, requiring standard precautions for miscellaneous dangerous substances. Proper handling procedures should emphasize environmental protection and containment measures to prevent aquatic contamination. Industrial applications primarily focus on agricultural formulations where the compound's herbicidal properties provide effective weed control solutions. Research applications also utilize this substance in studies of sulfonylurea chemistry and biological activity mechanisms. Unlike structurally different compounds such as copper(1+) thiocyanate, this molecule's organic framework allows for specific biological targeting mechanisms. The compound's specialized nature makes it valuable for pharmaceutical intermediate synthesis and agricultural chemical development, where precise molecular design is essential for efficacy and selectivity. OYSI maintains reliable supply channels for this technical compound, supporting European customers with consistent quality and regulatory compliance.
Safety & Classification
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
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Flazasulfuron (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea is a synthetic organic compound with the molecular formula C13H12F3N5O5S and CAS number 104040-78-0. This substance has a molecular weight of 407.33 g/mol and belongs to the sulfonylurea chemical family. It is characterized by its complex heterocyclic structure containing pyrimidine and pyridine rings with trifluoromethyl and methoxy substituents, making it particularly effective for specific industrial applications.
What are the physicochemical properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea is a solid compound at room temperature with a molecular weight of 407.33 g/mol. The presence of trifluoromethyl groups and multiple heteroatoms influences its solubility characteristics and chemical stability. The compound contains polar functional groups including methoxy substituents and sulfonyl linkages, which affect its interaction with solvents and other chemical species. Its complex aromatic structure contributes to its overall physicochemical behavior.
What is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea used for?
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea is primarily used as an active ingredient in agricultural applications, particularly as a herbicide. Its sulfonylurea structure makes it effective for selective weed control in various crop systems. The compound works by inhibiting specific enzymatic pathways in target plants. It may also find applications in research and development activities related to plant science and agricultural chemistry, where its specific molecular properties are utilized for controlled studies.
How to handle 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea safely?
Safe handling of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea requires standard personal protective equipment including safety gloves, protective clothing, and eye protection. Work should be conducted in well-ventilated areas to minimize exposure. Given its aquatic toxicity classification, particular care must be taken to prevent environmental release. Avoid contact with skin and eyes, and ensure proper hygiene practices including thorough handwashing after handling. Emergency procedures should be readily available in case of accidental exposure.
How to store 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea correctly?
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly closed and properly labeled according to GHS requirements. Storage areas must be equipped with appropriate containment measures to prevent environmental contamination due to its aquatic toxicity. Ensure separation from incompatible materials and maintain controlled access to authorized personnel only. Regular inspection of storage conditions and container integrity is essential for safe long-term storage.
What to do in case of contact with 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea?
In case of skin contact with 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea, immediately wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, rinse thoroughly with clean water for several minutes while holding eyelids open. If inhaled, move the person to fresh air immediately. Remove contaminated clothing and wash before reuse. Seek medical attention if irritation persists or if large quantities were involved. Keep the safety data sheet available for medical personnel.
How to dispose of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea appropriately?
Disposal of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea must be conducted through authorized waste management facilities capable of handling hazardous chemicals. Due to its aquatic toxicity classification, it requires special treatment to prevent environmental contamination. Never dispose of this substance through regular waste streams or sewage systems. Contact licensed waste disposal companies experienced in chemical waste management. All disposal activities must comply with local, national, and EU waste regulations. Proper documentation and tracking of waste disposal is mandatory.
How to transport 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea?
Transportation of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea falls under ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Vehicles must display proper hazard placards and drivers need ADR certification. Transport documents must include all necessary information about the substance and emergency response procedures. Ensure containers are properly secured and protected from damage during transit. Environmental protection measures are crucial due to the aquatic toxicity classification.
Is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea subject to specific regulations?
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea is subject to REACH registration requirements in the European Union and must comply with CLP regulation for classification and labeling. The substance is not currently listed as an SVHC (Substance of Very High Concern). Due to its aquatic toxicity, it falls under environmental protection regulations and may require special permits for use and handling. Users must maintain safety data sheets and ensure proper risk assessments. Additional restrictions may apply depending on intended use and local regulations.
Where to buy 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea in Europe?
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this substance to qualified industrial and research customers across Europe, ensuring compliance with all relevant regulations including REACH and transport requirements. As a professional chemical distributor, OYSI maintains proper documentation, safety data sheets, and technical support for customers. Contact OYSI directly for availability, technical specifications, and ordering information for your specific application requirements.
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1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]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.