Methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate

C15H17N5O6S

methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate

CAS101200-48-0
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

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Identification

CAS Number
101200-48-0
EC Number
401-190-1
UN Number
3077
Index Number
607-177-00-9
PubChem CID
153909

Physical-chemical properties

Molecular Formula
C15H17N5O6S
Molar Mass
395.40 g/mol
IUPAC Name
methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate

Chemical Identifiers

InChI
InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)
InChI Key
VLCQZHSMCYCDJL-UHFFFAOYSA-N

Overview

Methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate (CAS 101200-48-0) is a triazine-containing sulfonamide compound with herbicidal and plant growth regulation properties. This specialized chemical compound belongs to the sulfonylurea class of herbicides, characterized by its complex molecular structure featuring a triazine ring system combined with a sulfonamide bridge and benzoate ester functionality. With a molecular formula of C15H17N5O6S and molecular weight of 395.4 g/mol, this substance demonstrates the sophisticated chemistry typical of modern agricultural active ingredients. The compound exhibits significant biological activity through its mechanism of action on plant enzyme systems, making it valuable in crop protection applications. Its triazine core structure shares chemical similarities with other agricultural compounds, though it differs substantially from simpler molecules like 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide in terms of selectivity and mode of action. Safety considerations are paramount when handling this material, as it carries multiple hazard classifications including STOT RE 2 (specific target organ toxicity), Skin Sens. 1 (skin sensitization), and aquatic toxicity classifications (Aquatic Acute 1; Aquatic Chronic 1). The GHS pictograms GHS07, GHS08, and GHS09 indicate health hazards and environmental concerns, requiring appropriate personal protective equipment and environmental precautions during use. Primary industrial applications include formulation into selective herbicides for cereal crops, development of plant growth regulators, and research into novel crop protection technologies. The compound's selectivity profile makes it particularly valuable in integrated pest management systems where crop safety is essential. OYSI maintains reliable supply chains for this technical grade chemical compound, supporting European customers in the agricultural and specialty chemical sectors.

Safety & Classification

Warning
Classification:

STOT RE 2; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H373

May cause damage to organs through prolonged or repeated exposure.

H317

May cause an allergic skin reaction.

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

Skin Contact

Irritant

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

Frequently Asked Questions

What is methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate?

Methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate is a complex organic compound with CAS number 101200-48-0. This chemical belongs to the triazine family and features a molecular formula of C15H17N5O6S with a molecular weight of 395.4 g/mol. It contains multiple functional groups including methoxy, methyl, triazine, carbamoyl, and sulfamoyl moieties, making it structurally sophisticated and suitable for specialized chemical applications.

What are the physicochemical properties of methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate?

Methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate exhibits specific physicochemical characteristics typical of triazine derivatives. With its molecular weight of 395.4 g/mol and complex structure containing polar groups, it likely presents as a solid at room temperature. The presence of methoxy, carbamoyl, and sulfamoyl groups suggests moderate to good solubility in polar organic solvents, while the benzoate ester functionality may influence its stability and reactivity profile.

What is methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate used for?

Methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate serves as a specialized chemical intermediate in pharmaceutical and agrochemical synthesis. Its triazine core structure makes it valuable for developing herbicides, fungicides, or other bioactive compounds. The compound may also find applications in materials science research and as a building block for more complex molecular structures in fine chemical manufacturing and specialty chemical production.

How to handle methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate safely?

Safe handling requires appropriate personal protective equipment due to its Skin Sens. 1 and STOT RE 2 classifications. Wear chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact and sensitization. Ensure adequate ventilation to minimize inhalation exposure. Use in well-ventilated areas or under fume hoods. Avoid generating dust or aerosols. Wash hands thoroughly after handling and remove contaminated clothing immediately. Follow GHS pictogram warnings (GHS07, GHS08, GHS09) for health and environmental hazards.

How to store methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate correctly?

Storage requires cool, dry, well-ventilated conditions away from incompatible materials. Keep containers tightly sealed to prevent contamination and moisture absorption. Store away from heat sources, direct sunlight, and ignition sources. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), implement secondary containment measures to prevent environmental release. Separate from oxidizing agents and bases. Maintain storage temperature below 25°C and ensure proper labeling with GHS pictograms and hazard information.

What to do in case of contact with methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate?

Immediate first aid measures depend on the exposure route. For skin contact, remove contaminated clothing and wash affected area with soap and water for at least 15 minutes due to skin sensitization potential. For eye contact, rinse with clean water for 15-20 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. If ingested, rinse mouth and drink water if conscious. Seek medical attention for all exposure routes, especially considering STOT RE 2 classification. Provide SDS to medical personnel.

How to dispose of methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate properly?

Disposal must comply with local and national hazardous waste regulations due to its environmental and health hazard classifications. Contact licensed hazardous waste disposal contractors for proper treatment and disposal. Do not discharge into sewers, waterways, or soil due to Aquatic Acute 1 and Aquatic Chronic 1 classifications. Small quantities may require incineration at authorized high-temperature facilities. Contaminated containers should be treated as hazardous waste. Follow local environmental protection agency guidelines and maintain disposal documentation for regulatory compliance.

How to transport methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate?

Transportation follows ADR Class 9 (Miscellaneous dangerous goods) Packing Group III regulations. Use UN-specification packaging appropriate for Class 9 materials with proper labeling and documentation. Vehicles must carry appropriate placards and emergency response information. Drivers require hazardous materials training certification. Ensure proper segregation from incompatible materials during transport. Maintain temperature control if specified and provide emergency contact information. Follow international dangerous goods regulations (IATA/IMDG) for air or sea transport. Verify compliance with destination country import requirements.

Is methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate subject to specific regulations?

This compound is subject to multiple European chemical regulations under REACH and CLP frameworks. It requires classification and labeling according to CLP Regulation with Warning signal word and GHS pictograms 07, 08, and 09. While not identified as SVHC (Substance of Very High Concern), its environmental and health hazard classifications may trigger notification requirements. Users must comply with workplace exposure limits, environmental discharge restrictions, and safety data sheet provisions. Transport regulations under ADR Class 9 also apply for commercial movement.

Where to buy methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate in Europe?

OYSI serves as a reliable European distributor for methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate, providing quality chemicals to research institutions and industrial customers across Europe. Our technical expertise ensures proper handling, documentation, and regulatory compliance for this specialized compound. Contact OYSI for availability, technical specifications, and delivery options. We provide comprehensive safety data sheets and support to ensure safe handling and regulatory compliance throughout your supply chain requirements in the European market.

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Methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]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.