1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea

C13H12F3N5O5S

CAS104040-78-0
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
104040-78-0
UN Number
3077
Index Number
016-085-00-2
PubChem CID
93539

Physical-chemical properties

Molecular Formula
C13H12F3N5O5S
Molar Mass
407.33 g/mol
IUPAC Name
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea

Chemical Identifiers

InChI
InChI=1S/C13H12F3N5O5S/c1-25-8-6-9(26-2)19-11(18-8)20-12(22)21-27(23,24)10-7(13(14,15)16)4-3-5-17-10/h3-6H,1-2H3,(H2,18,19,20,21,22)
InChI Key
HWATZEJQIXKWQS-UHFFFAOYSA-N

Overview

1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea (CAS 104040-78-0) is a sulfonylurea herbicide compound with selective weed control properties and aquatic toxicity characteristics. This specialized herbicide belongs to the sulfonylurea chemical family, characterized by its complex molecular structure containing both pyrimidine and pyridine rings with trifluoromethyl and methoxy substituents. With a molecular formula of C13H12F3N5O5S and molecular weight of 407.33 g/mol, this compound demonstrates the sophisticated chemistry typical of modern agricultural active ingredients. The presence of the trifluoromethyl group enhances its biological activity and environmental persistence, while the dimethoxypyrimidin moiety contributes to its selectivity mechanism. From a safety perspective, this substance is classified with GHS09 pictogram and carries a "Warning" signal word due to its aquatic toxicity profile. It presents both acute and chronic hazards to aquatic environments (Aquatic Acute 1 and Aquatic Chronic 1), requiring careful handling and disposal procedures. The ADR Class 9 classification indicates it falls under miscellaneous dangerous goods for transport purposes, necessitating appropriate shipping protocols. Industrial applications primarily focus on herbicide formulations for selective weed control in various crop systems. The compound's mechanism of action involves inhibition of acetolactate synthase, making it effective against broadleaf weeds and certain grasses while maintaining crop safety. Unlike structurally different compounds such as copper(1+) thiocyanate used in other agricultural applications, this sulfonylurea derivative offers systemic herbicidal activity with relatively low application rates. OYSI maintains availability of this technical-grade herbicide intermediate for qualified industrial customers requiring high-purity chemical compounds for agricultural formulation development.

Safety & Classification

Warning
Classification:

Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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 NameFlazasulfuron (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea?

1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea is a synthetic organic compound with the molecular formula C13H12F3N5O5S and CAS number 104040-78-0. This chemical has a molecular weight of 407.33 g/mol and belongs to the class of sulfonylurea derivatives. It contains pyrimidine and pyridine ring systems with trifluoromethyl and methoxy substituents, making it a complex heterocyclic compound with specific biological activity profiles.

What are the physicochemical properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea?

This compound is a solid crystalline material at room temperature with a molecular weight of 407.33 g/mol. The presence of trifluoromethyl groups and multiple heteroatoms suggests moderate to low water solubility, while the compound likely exhibits good stability under normal conditions. The sulfonylurea structure typically imparts specific melting point characteristics and solubility patterns in organic solvents. Specific physical data such as exact melting point, color, and odor require detailed analytical characterization.

What is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea used for?

This compound is primarily used as an active ingredient in agricultural applications, specifically as a herbicide. Its sulfonylurea structure is characteristic of selective herbicides that inhibit acetolactate synthase (ALS), an enzyme essential for plant amino acid biosynthesis. The compound is employed in crop protection formulations for controlling broadleaf weeds and grasses in various agricultural settings. Its specific molecular structure provides selectivity and efficacy against target weed species while showing tolerance in certain crops.

How to safely handle 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea?

Safe handling requires wearing appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or use local exhaust ventilation to minimize exposure. Avoid direct contact with skin, eyes, and inhalation of dust or vapors. The compound carries a Warning signal word and requires careful handling due to its environmental hazard classification. Always wash hands thoroughly after handling and avoid eating, drinking, or smoking during use.

How to properly store 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea?

Store this compound in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly closed and properly labeled in their original packaging. Due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications, ensure storage areas have appropriate containment measures to prevent environmental release. Store away from incompatible materials and ensure compliance with local chemical storage regulations. Maintain storage temperatures as recommended by the manufacturer to preserve stability.

What to do in case of contact with 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea?

In case of skin contact, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes and remove contact lenses if present. If inhaled, move the person to fresh air and keep them at rest. If swallowed, do not induce vomiting and rinse mouth with water. Seek immediate medical attention in all cases and provide the safety data sheet to medical personnel.

How to properly dispose of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea?

Disposal must comply with local, national, and international environmental regulations due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Never dispose of this compound in sewers, waterways, or regular waste streams. Contact licensed waste disposal companies specialized in hazardous chemical waste management. Small quantities may require incineration at authorized high-temperature facilities. Always consult the safety data sheet and local environmental authorities for specific disposal requirements and approved disposal sites.

How to transport 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea?

This compound is classified under ADR Class 9 (Miscellaneous dangerous goods), Packing Group III, indicating it requires specific transport packaging and documentation. Use UN-approved packaging suitable for Class 9 materials and ensure proper labeling with appropriate hazard markings. Transport vehicles must carry appropriate emergency response information and comply with ADR routing restrictions. Drivers require ADR training certificates, and shipments must be accompanied by proper transport documents including dangerous goods declarations.

Is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea subject to specific regulations?

This compound is subject to REACH regulation as it is not identified as a Substance of Very High Concern (SVHC). It falls under CLP regulation with mandatory classification as Aquatic Acute 1 and Aquatic Chronic 1, requiring appropriate hazard labeling with GHS09 pictogram and Warning signal word. Agricultural use may require additional pesticide registration under relevant plant protection product regulations. Companies handling this substance must comply with REACH registration requirements and maintain safety data sheets according to European chemical legislation.

Where to buy 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound, offering professional-grade quality suitable for industrial and research applications. As an established chemical distributor, OYSI maintains proper handling, storage, and documentation standards required for this regulated substance. Contact OYSI directly for availability, technical specifications, regulatory compliance documentation, and pricing information. Their European network ensures proper transport and delivery according to ADR Class 9 requirements while maintaining full regulatory compliance.

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1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea 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.