Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate
C17H19F3N6O6S
methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate
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Identification
- CAS Number
- 126535-15-7
- UN Number
- 3077
- Index Number
- 607-714-00-7
- PubChem CID
- 92434
Physical-chemical properties
- Molecular Formula
- C17H19F3N6O6S
- Molar Mass
- 492.40 g/mol
- IUPAC Name
- methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate
Chemical Identifiers
- InChI
- InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)
- InChI Key
- IMEVJVISCHQJRM-UHFFFAOYSA-N
Overview
Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate (CAS 126535-15-7) is a triazine-based chemical compound with sulfonylurea functionality and trifluoroethoxy substitution. This complex organic molecule belongs to the triazine family of compounds, characterized by its heterocyclic six-membered ring containing three nitrogen atoms. The compound features a molecular formula of C17H19F3N6O6S with a molecular weight of 492.4 g/mol, incorporating multiple functional groups including a dimethylamino group, trifluoroethoxy substituent, and a carbamoylsulfamoyl linkage to a methylbenzoate moiety. The presence of the trifluoroethoxy group distinguishes it from simpler triazine derivatives such as 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine, providing enhanced chemical stability and specific biological activity profiles. The compound is classified with significant safety considerations, bearing a Category 2 carcinogenicity classification and presenting acute and chronic aquatic toxicity concerns. Safety protocols require appropriate GHS08 and GHS09 pictogram warnings, reflecting both health hazards and environmental risks. Transportation falls under ADR Class 9 miscellaneous dangerous goods, necessitating specialized handling procedures during logistics operations. Primary industrial applications include use as an active ingredient in specialized agrochemical formulations, particularly in selective herbicide systems where its triazine structure provides targeted biological activity. The compound also finds application in research and development settings for pharmaceutical intermediate synthesis and as a reference standard in analytical chemistry protocols. OYSI maintains reliable supply chains for this specialized triazine derivative, supporting European customers with comprehensive technical documentation and regulatory compliance support for industrial applications.
Safety & Classification
Carc. 2; 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 | Triflusulfuron-methyl (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate?
Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate is a complex organic compound with the molecular formula C17H19F3N6O6S and CAS number 126535-15-7. This triazine derivative has a molecular weight of 492.4 g/mol and contains multiple functional groups including dimethylamino, trifluoroethoxy, carbamoylsulfamoyl, and methylbenzoate moieties. It is classified as a suspected carcinogen (Category 2) and poses acute and chronic aquatic toxicity risks.
What are the physicochemical properties of methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate?
This compound is a solid organic substance with a molecular weight of 492.4 g/mol and contains fluorine atoms which typically influence its physicochemical behavior. The presence of multiple polar functional groups (carbamoylsulfamoyl, ester) and non-polar aromatic rings suggests moderate polarity. The trifluoroethoxy group enhances chemical stability and may affect solubility characteristics. Specific data on melting point, boiling point, density, and solubility parameters should be obtained from detailed technical specifications or safety data sheets.
What is methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate used for?
This compound is primarily used as an intermediate in pharmaceutical and agrochemical synthesis due to its triazine core structure. The complex molecular architecture with carbamoylsulfamoyl linkage suggests applications in developing sulfonylurea-type compounds or related bioactive molecules. Its specific functional groups make it valuable for research and development in medicinal chemistry, particularly for creating compounds with herbicidal or pharmaceutical properties. Industrial applications are typically limited to specialized chemical manufacturing processes.
How to handle methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate safely?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its suspected carcinogenic properties (Category 2). Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin contact and ingestion. Use proper laboratory techniques, ensure adequate ventilation, and wash hands thoroughly after handling. Emergency eyewash and safety shower facilities should be readily accessible in work areas.
How to store methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate correctly?
Store this compound in a cool, dry, well-ventilated area away from heat sources, direct sunlight, and incompatible materials. Keep containers tightly sealed to prevent moisture absorption and contamination. Due to its suspected carcinogenic properties, storage should be in designated areas with restricted access and appropriate labeling. Avoid storage near oxidizing agents, strong acids, or bases. Maintain storage temperature according to manufacturer specifications and ensure proper inventory management with first-in-first-out rotation.
What to do in case of contact with methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate?
Immediate decontamination is essential due to the compound's hazardous properties. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult a poison control center or physician after any exposure.
How to dispose of methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate appropriately?
Disposal must comply with local, national, and international environmental regulations due to its aquatic toxicity classification. This compound requires treatment as hazardous waste and should not be discharged to sewers, waterways, or soil. Contact licensed hazardous waste disposal contractors for proper treatment, which may include high-temperature incineration or other approved destruction methods. Maintain detailed waste disposal records and ensure proper waste classification codes are used. Empty containers may also require special handling as hazardous waste.
How to transport methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate?
This compound is classified under ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III, indicating moderate transport hazard. Packaging must comply with UN specifications and proper dangerous goods documentation is required. Vehicles must carry appropriate emergency response information and drivers need dangerous goods training certification. Packages require proper hazard labels (GHS08, GHS09) and orientation arrows if applicable. Transport should avoid extreme temperatures and ensure secure packaging to prevent spillage during transit.
Is methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate subject to specific regulations?
This compound is subject to multiple regulatory frameworks including REACH registration requirements for European markets and CLP classification obligations. It must be classified with Warning signal word and appropriate GHS pictograms (GHS08, GHS09). As a suspected carcinogen (Category 2) and aquatic toxin, it requires special handling procedures and workplace exposure monitoring. While not currently listed as SVHC, regulatory status may change. Import/export may require permits and safety data sheets must accompany all shipments according to regulatory requirements.
Where to buy methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate in Europe?
OYSI serves as a reliable European distributor for this specialized chemical compound, offering compliant supply with proper documentation and safety data sheets. As an established chemical distributor, OYSI ensures regulatory compliance with REACH requirements and provides technical support for handling and application questions. Their European distribution network enables efficient logistics while maintaining product integrity and proper hazard communication throughout the supply chain. Contact OYSI directly for availability, specifications, and regulatory documentation requirements.
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Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate 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.