1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea

C13H16N10O5S

CAS120162-55-2
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
120162-55-2
UN Number
3077
Index Number
613-163-00-3
PubChem CID
86355

Physical-chemical properties

Molecular Formula
C13H16N10O5S
Molar Mass
424.40 g/mol
IUPAC Name
1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea

Chemical Identifiers

InChI
InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)
InChI Key
MAHPNPYYQAIOJN-UHFFFAOYSA-N

Overview

1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea (CAS 120162-55-2) is a complex heterocyclic sulfonylurea compound with potent herbicidal and aquatic toxicity properties. This sophisticated organic molecule represents a multi-heterocyclic sulfonylurea derivative incorporating pyrimidine, pyrazole, and tetrazole ring systems within its molecular framework. With a molecular formula of C13H16N10O5S and a molecular weight of 424.4 g/mol, this compound demonstrates the intricate chemical architecture typical of modern agrochemical intermediates. The presence of multiple nitrogen-containing heterocycles contributes to its biological activity profile, while the methoxy substituents on the pyrimidine ring and the methyltetrazole moiety enhance its selectivity and stability characteristics. From a safety perspective, this compound requires careful handling due to its significant environmental impact. Classified under GHS pictogram GHS09 with a "Warning" signal word, it exhibits Aquatic Acute 1 and Aquatic Chronic 1 hazard classifications, indicating severe toxicity to aquatic organisms with long-lasting effects. The ADR Class 9 designation categorizes it as a miscellaneous dangerous substance for transportation purposes. Proper containment and disposal protocols are essential to prevent environmental contamination. Industrial applications primarily focus on agrochemical synthesis, where this compound serves as an active ingredient or intermediate in herbicide formulations. Its structural complexity makes it valuable in pharmaceutical research as a building block for developing novel therapeutic agents. Unlike simpler chemical structures such as copper(1+) thiocyanate, this multi-heterocyclic compound offers enhanced specificity in biological systems. OYSI maintains reliable supply chains for this specialized chemical intermediate, ensuring consistent availability for qualified industrial customers requiring high-purity materials for research and manufacturing applications.

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 NameAzimsulfuron (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea?

1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea is a complex organic compound with the CAS number 120162-55-2 and molecular formula C13H16N10O5S. This sulfonylurea derivative has a molecular weight of 424.4 g/mol and contains multiple nitrogen-containing heterocyclic rings including pyrimidine, pyrazole, and tetrazole moieties. The compound is classified as hazardous to the aquatic environment with both acute and chronic toxicity properties.

What are the physicochemical properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea?

1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea is a solid compound with a molecular weight of 424.4 g/mol and the molecular formula C13H16N10O5S. As a sulfonylurea derivative containing multiple polar functional groups including methoxy, sulfonyl, and nitrogen heterocycles, it likely exhibits moderate to good solubility in polar solvents. The presence of multiple aromatic rings suggests stability under normal conditions, though specific physical properties would require detailed analytical characterization.

What is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea used for?

1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea is primarily used as an active ingredient in herbicidal formulations for agricultural applications. As a sulfonylurea compound, it functions by inhibiting specific enzyme systems in plants, making it effective for selective weed control in various crop systems. The compound is utilized in professional agricultural settings and may also find applications in specialized research and development activities within the agrochemical industry.

How to handle 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea safely?

1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea requires careful handling due to its environmental hazard classification. Wear appropriate personal protective equipment including gloves, safety goggles, and protective clothing to prevent skin and eye contact. Ensure adequate ventilation in work areas and avoid releasing the substance into the environment. Handle in accordance with good industrial hygiene practices, wash hands thoroughly after use, and follow all safety data sheet recommendations for safe manipulation procedures.

How to store 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea correctly?

1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from moisture, heat, and direct sunlight. Store in original packaging with proper labeling and ensure segregation from food, feed, and drinking water. Implement appropriate containment measures to prevent environmental release and maintain storage temperatures according to manufacturer specifications to preserve product stability and prevent degradation.

What to do in case of contact with 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea?

Immediate action is required following contact with 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. If eye contact occurs, rinse immediately with plenty of clean water for at least 15 minutes. In case of inhalation, move to fresh air immediately. If ingested, rinse mouth and seek immediate medical attention. Always consult the safety data sheet and contact emergency services if severe symptoms develop.

How to dispose of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea properly?

1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea must be disposed of through authorized hazardous waste management facilities due to its environmental hazard classification. Never dispose of this substance in regular waste streams, sewers, or release into the environment. Contact licensed waste disposal companies specializing in chemical waste management. Follow all local, national, and EU waste regulations including proper classification, packaging, and documentation requirements for hazardous waste disposal to ensure environmental protection.

How to transport 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea?

1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Use UN-approved packaging suitable for Packing Group III substances, ensure proper hazard markings and transport documents are present. Transport should be conducted by qualified carriers familiar with dangerous goods handling and in compliance with international transport regulations.

Is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea subject to specific regulations?

1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea is subject to various European chemical regulations including REACH registration requirements and CLP classification obligations. The substance carries the GHS09 pictogram with 'Warning' signal word due to its aquatic toxicity classification. It is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with safety data sheet requirements, proper classification and labeling under CLP regulation, and may need to consider additional restrictions depending on specific applications and quantities handled.

Where to buy 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea in Europe?

1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea is available through OYSI, a specialized European distributor of technical chemicals and intermediates. OYSI provides this compound to professional users in the chemical industry, research institutions, and agricultural sector. As a regulated substance with specific handling and safety requirements, procurement is typically limited to qualified industrial customers with appropriate facilities and expertise. Contact OYSI directly for availability, technical specifications, and compliance documentation for your specific application requirements.

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1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea 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.