1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea
C13H9F6N5O4S
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Identification
- CAS Number
- 142469-14-5
- UN Number
- 3077
- Index Number
- 613-271-00-0
- PubChem CID
- 11657899
Physical-chemical properties
- Molecular Formula
- C13H9F6N5O4S
- Molar Mass
- 445.30 g/mol
- IUPAC Name
- 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea
Chemical Identifiers
- InChI
- InChI=1S/C13H9F6N5O4S/c1-28-11-21-8(13(17,18)19)20-9(23-11)22-10(25)24-29(26,27)7-5-3-2-4-6(7)12(14,15)16/h2-5H,1H3,(H2,20,21,22,23,24,25)
- InChI Key
- KVEQCVKVIFQSGC-UHFFFAOYSA-N
Overview
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea (CAS 142469-14-5) is a sulfonylurea-triazine compound featuring dual trifluoromethyl groups and methoxy substitution. This specialized organofluorine compound belongs to the sulfonylurea chemical family, characterized by its unique molecular structure combining a triazine ring system with a phenylsulfonylurea moiety. With a molecular formula of C13H9F6N5O4S and molecular weight of 445.3 g/mol, this substance exhibits distinctive properties due to the presence of six fluorine atoms distributed across two trifluoromethyl groups. The compound's structural complexity, featuring both electron-withdrawing trifluoromethyl substituents and a methoxy group, contributes to its specific chemical behavior and potential applications. From a safety perspective, this compound requires careful handling as it presents skin sensitization risks and poses significant environmental hazards to aquatic organisms. The GHS07 and GHS09 pictograms indicate both health and environmental concerns, necessitating appropriate protective measures during storage, handling, and transportation. As an ADR Class 9 miscellaneous dangerous substance, it requires specialized logistics considerations. Industrial applications for this compound typically include use as an intermediate in pharmaceutical synthesis, particularly in the development of herbicidal or pharmaceutical agents where the sulfonylurea functionality is desired. Its structural similarity to other specialized compounds like 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine suggests potential applications in crop protection chemistry. The compound may also serve as a building block in fine chemical synthesis where trifluoromethyl-substituted triazine derivatives are required. OYSI maintains reliable supply chains for this specialized chemical intermediate, ensuring consistent availability for European industrial customers requiring high-quality organofluorine compounds.
Safety & Classification
Skin Sens. 1; 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
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +P313Get medical advice/attention.
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 | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Tritosulfuron (ISO), (enthält <= 0,02 % AMTT) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea?
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea is a synthetic chemical compound with the molecular formula C13H9F6N5O4S and CAS number 142469-14-5. This organic molecule belongs to the sulfonylurea class and contains both triazine and fluorinated aromatic moieties. With a molecular weight of 445.3 g/mol, it features multiple trifluoromethyl groups that contribute to its unique chemical properties and potential biological activity.
What are the physicochemical properties of 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea?
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea is a solid compound at room temperature with a molecular weight of 445.3 g/mol. The presence of multiple fluorine atoms (6 total) contributes to its chemical stability and potentially low volatility. The compound contains polar functional groups including methoxy, triazine, and sulfonylurea moieties, which influence its solubility characteristics. The trifluoromethyl groups typically impart lipophilic properties while the polar groups provide hydrophilic character.
What is 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea used for?
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea is primarily used as a specialized chemical intermediate and research compound. Its sulfonylurea structure suggests potential applications in pharmaceutical research and development. The compound may also serve as a synthetic building block in organic chemistry laboratories and industrial chemical synthesis processes. Due to its specific molecular structure with triazine and fluorinated components, it could be utilized in the development of agrochemicals or advanced materials.
How to handle 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea safely?
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea must be handled with appropriate personal protective equipment due to its skin sensitization potential (Skin Sens. 1). Wear nitrile or neoprene gloves, safety glasses, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume hood extraction. Avoid generating dust or aerosols. The compound carries a Warning signal word and requires careful handling to prevent sensitization reactions and environmental release.
How to store 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea correctly?
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers away from heat sources and direct sunlight. Given its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), storage areas must include appropriate containment measures to prevent environmental release. Store separately from oxidizing agents and ensure proper labeling with GHS07 and GHS09 pictograms.
What to do in case of contact with 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea?
Immediate skin contact with 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea requires washing the affected area with plenty of soap and water for at least 15 minutes. Remove contaminated clothing immediately. For eye contact, flush with clean water for 15 minutes. Due to the skin sensitization hazard (Skin Sens. 1), monitor for allergic reactions. If symptoms develop or persist, seek medical attention immediately. Do not induce vomiting if ingested and seek immediate medical advice.
How to dispose of 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea appropriately?
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea must be disposed of as hazardous waste according to local and national regulations due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1). Contact licensed hazardous waste disposal companies for proper treatment. Never discharge to sewers, waterways, or soil. Small quantities should be collected in appropriate containers and labeled clearly. Incineration at licensed facilities with appropriate emission controls is typically the recommended disposal method for organic compounds of this type.
How to transport 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea?
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Packages must display Class 9 hazard labels and proper shipping names. Transport vehicles should carry appropriate emergency equipment and documentation. The compound's environmental hazards require additional precautions to prevent spills during transportation.
Is 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea subject to particular regulations?
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea is subject to REACH regulation requirements for registration, evaluation, and authorization in the European Union. The compound is classified under CLP regulation with specific hazard classifications (Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1). It is not currently identified as a Substance of Very High Concern (SVHC). Users must comply with safety data sheet requirements, proper labeling with GHS pictograms, and appropriate risk management measures.
Where to buy 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea in Europe?
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea is available through OYSI, a European distributor of specialty chemicals. OYSI provides this compound to research institutions, pharmaceutical companies, and industrial customers across Europe with proper documentation and regulatory compliance. As a specialized chemical intermediate, availability may be subject to minimum order quantities and lead times. Contact OYSI directly for pricing, availability, and technical specifications to ensure the product meets your specific application requirements.
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1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea 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.