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

CAS126535-15-7
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 specialized organic compound belongs to the triazine family of chemicals, characterized by its complex molecular structure containing both aromatic and heterocyclic components. With a molecular formula of C17H19F3N6O6S and molecular weight of 492.4 g/mol, this substance features multiple functional groups including dimethylamino, trifluoroethoxy, carbamoylsulfamoyl, and methylbenzoate moieties. The presence of fluorine atoms in the trifluoroethoxy group enhances the compound's stability and influences its physicochemical properties. Safety considerations are paramount when handling this material, as it is classified under GHS pictograms GHS08 and GHS09, indicating health hazards and environmental concerns. The compound carries a Carc. 2 classification, suggesting potential carcinogenic properties, alongside Aquatic Acute 1 and Aquatic Chronic 1 classifications that highlight its environmental impact on aquatic ecosystems. Transportation falls under ADR Class 9 (miscellaneous dangerous substances), requiring appropriate handling protocols and documentation. The compound shares structural similarities with other triazine derivatives such as 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine, though the trifluoroethoxy and sulfonylurea functionalities distinguish it from simpler triazine compounds. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, agricultural chemical production, and specialized organic synthesis processes where the unique combination of functional groups provides specific reactivity patterns. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for European industrial customers requiring high-quality triazine derivatives for their technical applications.

Safety & Classification

Warning
Classification:

Carc. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

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

Transport (ADR)

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

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. The compound is classified as a category 2 carcinogen and presents aquatic toxicity concerns.

What are the physicochemical properties of 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 an organic solid compound with a molecular weight of 492.4 g/mol. The presence of multiple polar functional groups and the trifluoroethoxy moiety suggests moderate polarity with potential solubility in organic solvents. The compound's complex structure with aromatic rings, triazine core, and multiple heteroatoms influences its physical properties including melting point, solubility profile, and stability characteristics.

What is methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate used for?

Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate is typically used in specialized chemical applications and research. The triazine backbone and complex functional groups suggest potential applications in pharmaceutical intermediates, agrochemical synthesis, or advanced material development. Due to its carcinogenic classification, its use is restricted to professional and industrial applications with appropriate safety controls and regulatory compliance.

How to handle methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate safely?

Safe handling of this compound requires strict safety measures due to its carcinogenic properties (Carc. 2). Essential protective equipment includes nitrile gloves, safety goggles, and respiratory protection to prevent inhalation. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin contact, ingestion, and inhalation. Implement proper hygiene measures including thorough handwashing after handling. Follow GHS08 health hazard warnings and establish appropriate workplace exposure controls.

How to store methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate correctly?

Proper storage requires a cool, dry, well-ventilated area away from direct sunlight and heat sources. The compound should be kept in tightly sealed original containers with appropriate labeling including GHS08 and GHS09 pictograms. Due to its carcinogenic classification, implement controlled access storage with proper inventory tracking. Avoid storage near incompatible materials such as strong oxidizers, acids, or bases. Maintain storage temperature below 25°C and ensure containers are chemically resistant.

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 first aid measures are critical due to the carcinogenic nature of this compound. For skin contact, immediately remove contaminated clothing and wash affected area with plenty of soap and water for at least 15 minutes. In case of eye contact, flush immediately with water for 15 minutes. If inhaled, move person to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always inform medical personnel about the substance's carcinogenic properties.

How to dispose of methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate properly?

Disposal must comply with local and European waste regulations due to the compound's carcinogenic and aquatic toxicity properties. The substance requires classification as hazardous waste and must be disposed of through licensed hazardous waste contractors. Incineration at high temperatures in approved facilities is typically recommended. Never dispose of in regular waste, sewers, or water systems due to Aquatic Acute 1 and Chronic 1 classifications. Maintain disposal documentation for regulatory compliance.

How to transport methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate?

Transportation follows ADR Class 9 (Miscellaneous dangerous substances) regulations with Packing Group III classification. Packages must display appropriate UN identification numbers and hazard labels including GHS08 and GHS09 pictograms. Use approved packaging materials and ensure proper documentation including transport documents and emergency response information. Vehicles must carry appropriate placards and emergency equipment. Drivers require ADR training certification for Class 9 materials. Avoid transport during extreme temperatures.

Is methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate subject to specific regulations?

Yes, this compound is subject to comprehensive European chemical regulations. Under CLP Regulation, it requires classification as Carcinogenic Category 2 and Aquatic toxicity Categories 1. REACH registration requirements apply for commercial use above tonnage thresholds. Workplace exposure limits and occupational health monitoring may be mandatory. The substance is not currently listed as SVHC but faces potential regulatory scrutiny due to its hazard profile. Users must comply with national implementation of EU chemical safety legislation.

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 specialized European distributor for this compound, providing reliable supply to qualified industrial and research customers. As a professional chemical distributor, OYSI ensures full regulatory compliance, proper documentation, and safe packaging for transportation. Due to the substance's carcinogenic classification, purchases require verification of legitimate use, appropriate safety infrastructure, and regulatory compliance. Contact OYSI directly for availability, technical specifications, safety data sheets, and regulatory support for your specific application 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.

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Data Sources

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