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

CAS97780-06-8
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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-containing sulfonamide compound with herbicidal properties and environmental persistence characteristics. This complex organic compound belongs to the sulfonylurea herbicide family, characterized by its distinctive triazine ring system combined with a sulfonamide linkage and benzoate ester functionality. With a molecular formula of C15H18N6O6S and molecular weight of 410.4 g/mol, this substance represents an advanced example of modern agrochemical design, where multiple functional groups work synergistically to achieve selective herbicidal activity. The compound exhibits significant environmental concerns, classified under GHS pictograms GHS07 and GHS09, indicating both health hazards and environmental toxicity. Its classification as Eye Irritant Category 2, along with Aquatic Acute 1 and Aquatic Chronic 1 designations, reflects its potential for causing eye irritation and its high toxicity to aquatic organisms with long-lasting environmental effects. The Warning signal word and ADR Class 9 classification emphasize the need for careful handling and specialized transport requirements. Safety protocols must address its environmental persistence and bioaccumulation potential, distinguishing it from other agrochemicals like N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline, which operates through different molecular mechanisms. Unlike compounds such as 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine, this triazine derivative specifically targets plant enzyme systems. Primary applications include selective weed control in agricultural settings, particularly for broadleaf weed management, and specialized industrial vegetation control where precise herbicidal action is required. The compound also finds use in research and development applications for studying triazine-based herbicide mechanisms. OYSI maintains reliable supply chains for this specialized agrochemical intermediate, ensuring consistent availability for qualified industrial customers across Europe.

Safety & Classification

Warning
Classification:

Eye Irrit. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H319

Causes serious eye irritation.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

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

Irritant

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameEthametsulfuron-methyl (ISO)
Marine PollutantNo

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 an organic chemical 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 features a complex structure containing benzoate, sulfamoyl, and triazine functional groups. It is classified as a hazardous substance with eye irritation properties and aquatic toxicity, 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 organic compound at room temperature with a molecular weight of 410.4 g/mol. The substance contains multiple functional groups including ester, amide, and triazine moieties, which influence its solubility and reactivity. Specific physical properties such as melting point, boiling point, and exact solubility data should be confirmed through technical documentation or safety data sheets for precise handling requirements.

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 a chemical intermediate in pharmaceutical and agrochemical synthesis. Its triazine structure makes it valuable for developing herbicides, pesticides, and pharmaceutical compounds. The compound serves as a building block in organic synthesis, particularly in the production of sulfonylurea derivatives. Industrial applications include research and development, custom synthesis, and specialty chemical manufacturing where precise molecular structures are required.

How to handle methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate safely?

Safe handling requires appropriate personal protective equipment including safety glasses, gloves, and protective clothing due to its Eye Irritant 2 classification. Work in well-ventilated areas or under fume extraction to prevent inhalation exposure. Avoid direct contact with skin and eyes, and ensure proper hygiene practices including hand washing after handling. Use appropriate tools and containers to minimize dust formation and potential exposure. Training on chemical hazards and emergency procedures is essential for all personnel handling this substance.

How to store methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate correctly?

Store methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate in a cool, dry, well-ventilated area away from incompatible materials and ignition sources. Use original containers or approved chemical storage containers with proper labeling. Due to its aquatic toxicity classification, ensure storage areas have appropriate containment measures to prevent environmental release. Maintain temperature and humidity controls as specified in technical documentation, and implement inventory management to ensure proper rotation and expiration monitoring.

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, immediately flush with plenty of water for at least 15 minutes and seek medical attention due to the Eye Irritant 2 classification. For skin contact, wash thoroughly with soap and water, removing contaminated clothing. If inhaled, move to fresh air and monitor for respiratory symptoms. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures and contact emergency services if serious exposure occurs.

How to dispose of methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate appropriately?

Disposal must comply with local, national, and EU waste regulations due to its hazardous classification and aquatic toxicity. The substance requires treatment as hazardous chemical waste and should never be released to sewers, waterways, or the environment. Contact licensed waste disposal companies specializing in chemical waste management. Incineration at authorized high-temperature facilities may be appropriate for organic chemical waste. Maintain proper documentation of waste disposal activities and ensure compliance with REACH and waste framework directive requirements.

How to transport methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate?

Transport follows ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III regulations for road transport within Europe. Use approved packaging materials and proper hazard labeling including GHS07 and GHS09 pictograms with "Warning" signal word. Ensure transport documents include proper shipping names, hazard classifications, and emergency contact information. Drivers must hold appropriate ADR certification for Class 9 substances. Implement spill containment measures and avoid transport during extreme weather conditions to prevent environmental release.

Is methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate subject to specific regulations?

The substance is subject to REACH regulation for registration, evaluation, and authorization of chemicals in the EU, though it is not currently classified as a Substance of Very High Concern (SVHC). CLP regulation applies for classification, labeling, and packaging requirements. Due to its aquatic toxicity classification, environmental regulations including Water Framework Directive may apply. Industrial users must comply with occupational health and safety directives, and specific sector regulations may apply depending on end-use applications in pharmaceuticals or agrochemicals.

Where to buy methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate in Europe?

OYSI serves as a reliable European distributor for methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate, offering technical-grade chemicals to industrial customers across Europe. As a specialized chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for hazardous substances. Contact OYSI directly for availability, technical specifications, safety documentation, and logistics support. Professional chemical distributors provide essential services including regulatory guidance, proper packaging, and technical support for safe handling and 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.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.