Methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate
C15H18N6O6S
methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate
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Identification
- CAS Number
- 97780-06-8
- UN Number
- 3077
- Index Number
- 607-751-00-9
- PubChem CID
- 91756
Physical-chemical properties
- Molecular Formula
- C15H18N6O6S
- Molar Mass
- 410.40 g/mol
- IUPAC Name
- methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate
Chemical Identifiers
- InChI
- InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)
- InChI Key
- ZINJLDJMHCUBIP-UHFFFAOYSA-N
Overview
Methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate (CAS 97780-06-8) is a triazine-based sulfonamide compound with herbicidal and plant growth regulatory properties. This complex organic molecule belongs to the family of substituted triazines, featuring a distinctive molecular structure that combines a triazine ring system with sulfonamide and benzoate functional groups. With a molecular formula of C15H18N6O6S and molecular weight of 410.4 g/mol, this compound exhibits specific bioactive properties that make it valuable in agricultural and specialty chemical applications. The substance presents moderate safety considerations, classified under GHS pictograms GHS07 and GHS09 with a "Warning" signal word. Primary hazard classifications include Eye Irritant Category 2 and Aquatic Acute/Chronic toxicity Category 1, indicating potential for eye irritation and environmental persistence. These properties require careful handling protocols and appropriate personal protective equipment during industrial processing and application. The compound's triazine backbone provides selective biological activity, distinguishing it from other agricultural chemicals such as N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline, which operates through different molecular mechanisms. Key industrial applications include selective herbicide formulations for crop protection, plant growth regulation in horticultural applications, and as an intermediate in the synthesis of more complex agrochemical products. Transport classification under ADR Class 9 (miscellaneous dangerous substances) reflects its specialized handling requirements for distribution and storage. The compound's unique molecular architecture allows for targeted biological activity while maintaining acceptable environmental and safety profiles when used according to established guidelines. OYSI maintains reliable supply chains for this specialized triazine derivative, supporting European customers in agricultural chemistry and related technical applications.
Safety & Classification
Eye Irrit. 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
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +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 | Ethametsulfuron-methyl (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate?
Methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate is a synthetic organic compound with the molecular formula C15H18N6O6S and CAS number 97780-06-8. This triazine derivative has a molecular weight of 410.4 g/mol and contains both sulfonylurea and benzoate functional groups. It is classified as an eye irritant and presents aquatic toxicity concerns, requiring careful handling in industrial applications.
What are the physicochemical properties of methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate?
Methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate is a solid compound with a molecular weight of 410.4 g/mol. The presence of multiple polar functional groups including triazine, sulfonylurea, and ester moieties suggests moderate to good solubility in polar organic solvents. Its complex structure with both hydrophilic and lipophilic components influences its physical behavior and stability under various conditions.
What is methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate used for?
Methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. Its triazine-sulfonylurea structure makes it valuable for developing compounds with biological activity. The substance serves as a building block in the production of specialized chemicals requiring its unique combination of functional groups for specific molecular interactions and biological properties.
How to handle methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate safely?
Safe handling of methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate requires protective equipment including safety glasses, gloves, and protective clothing due to its Eye Irritant 2 classification. Work in well-ventilated areas and avoid direct contact with eyes and skin. Implement appropriate engineering controls and ensure personnel are trained on the hazards indicated by GHS07 and GHS09 pictograms.
How to store methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate correctly?
Methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate should be stored in a cool, dry place away from direct sunlight and moisture. Keep containers tightly closed in a well-ventilated area. Due to its aquatic toxicity classification, prevent environmental release and store away from water sources. Maintain appropriate temperature conditions to preserve chemical stability and prevent degradation of the compound.
What to do in case of contact with methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate?
In case of eye contact with methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate, immediately flush with plenty of clean water for at least 15 minutes and seek medical attention due to its eye irritant properties. For skin contact, wash thoroughly with soap and water. If inhaled, move to fresh air. Remove contaminated clothing and wash before reuse. Contact emergency services if symptoms persist.
How to dispose of methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate properly?
Disposal of methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate must comply with local environmental regulations due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. The substance requires specialized hazardous waste treatment and must not be released to the environment. Contact licensed waste disposal companies for proper handling and incineration at authorized facilities to prevent aquatic contamination.
How to transport methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate?
Methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation. This classification requires appropriate packaging, labeling, and documentation for road transport. Ensure compliance with dangerous goods regulations, use authorized packaging, and provide proper shipping documentation including safety data sheets for safe transportation throughout Europe.
Is methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate subject to special regulations?
Methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate is subject to REACH registration requirements and CLP classification regulations in Europe. The substance is not listed as an SVHC (Substance of Very High Concern). Companies must comply with safety data sheet requirements, proper labeling with Warning signal word and GHS07/GHS09 pictograms, and environmental protection measures due to its aquatic toxicity classification.
Where to buy methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate in Europe?
Methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to pharmaceutical, agrochemical, and research industries across Europe with proper documentation, safety data sheets, and regulatory compliance. Contact OYSI for availability, technical specifications, and delivery options for your specific application requirements.
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Methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate 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.