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 significant environmental hazard properties. This sophisticated organic compound belongs to the sulfonylurea chemical family, characterized by its distinctive molecular structure containing multiple nitrogen-rich heterocyclic rings including pyrimidine, pyrazole, and tetrazole moieties. With a molecular formula of C13H16N10O5S and a molecular weight of 424.4 g/mol, this compound represents an advanced example of multi-functional heterocyclic chemistry. The presence of methoxy substituents on the pyrimidine ring and the methylated tetrazole group contributes to its unique chemical properties and biological activity profile. The compound is classified under ADR Class 9 miscellaneous dangerous goods, requiring careful handling and transportation protocols. Its primary safety concern relates to aquatic toxicity, as indicated by its Aquatic Acute 1 and Aquatic Chronic 1 classifications under GHS, accompanied by the GHS09 environmental hazard pictogram and Warning signal word. These classifications highlight the substance's potential for significant environmental impact, particularly in aquatic ecosystems, necessitating strict containment and disposal procedures. Industrial applications for this compound typically include use as a research intermediate in pharmaceutical development and as a specialized reagent in organic synthesis. Its complex structure makes it valuable for developing novel compounds with specific biological activities. Unlike simpler organic compounds such as copper(1+) thiocyanate, this sulfonylurea derivative requires specialized handling expertise due to its environmental hazard profile. OYSI maintains availability of this specialized compound for qualified industrial customers requiring high-purity heterocyclic intermediates for research and development 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 CAS number 120162-55-2 and molecular formula C13H16N10O5S. This sulfonylurea derivative has a molecular weight of 424.4 g/mol and contains multiple heterocyclic rings including pyrimidine, pyrazole, and tetrazole moieties. The compound is classified as hazardous to aquatic environments and requires careful handling according to GHS regulations.

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. The presence of multiple nitrogen-containing heterocycles and methoxy groups suggests moderate polarity. As a sulfonylurea derivative, it likely exhibits limited water solubility but may dissolve in polar organic solvents. The compound's stability and other specific physical properties should be confirmed through technical documentation from suppliers.

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 intermediate in pharmaceutical and agrochemical synthesis. The sulfonylurea structure suggests potential applications in herbicide development or pharmaceutical research. Its complex heterocyclic framework makes it valuable for medicinal chemistry applications and as a building block for more complex bioactive molecules. Professional users should verify specific applications with suppliers.

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 standard laboratory safety precautions due to its 'Warning' signal word. Wear appropriate personal protective equipment including safety glasses, gloves, and lab coats. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid release to the environment given its aquatic toxicity classification (GHS09). Handle with care to prevent skin and eye contact, and wash hands thoroughly after use.

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 place away from direct sunlight and heat sources. Keep containers tightly sealed to prevent moisture absorption and contamination. Store in dedicated chemical storage areas with appropriate labeling and inventory tracking. Given its aquatic toxicity classification, ensure storage areas have appropriate containment measures to prevent environmental release. Check compatibility with other stored chemicals and follow facility-specific storage protocols.

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 first aid measures for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea exposure include rinsing affected skin or eyes with plenty of clean water for at least 15 minutes. Remove contaminated clothing and seek medical attention if irritation persists. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek medical attention promptly. Always consult the safety data sheet for specific emergency procedures and contact emergency services if necessary.

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 licensed hazardous waste contractors due to its aquatic toxicity classification. Never discharge to sewers, waterways, or soil. Collect waste in appropriate containers with proper labeling including chemical name and hazard information. Follow local and national regulations for hazardous waste disposal. Small laboratory quantities may require incineration at authorized facilities. Consult your safety data sheet and local environmental authorities for specific disposal requirements.

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 substances), Packing Group III. This classification requires appropriate packaging, labeling, and documentation during transport. Use UN-approved packaging and ensure proper marking with the correct shipping name and hazard labels. Transport documentation must include emergency response information. Professional carriers experienced in chemical transport should handle shipments to ensure 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 REACH and CLP regulations in Europe but is not classified as a Substance of Very High Concern (SVHC). Its aquatic toxicity classification requires compliance with environmental protection regulations and proper waste management procedures. Users must ensure appropriate risk assessments, safety data sheet availability, and worker training. Import/export may require additional documentation depending on destination countries and intended use applications.

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 chemical products. OYSI provides reliable supply chains for pharmaceutical and research chemical intermediates across Europe. As professional chemical distributors, they ensure proper handling, documentation, and regulatory compliance for specialty chemicals. Contact OYSI directly for availability, technical specifications, and pricing information 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.