Methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate

C13H15ClN6O7S

methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate

CAS100784-20-1
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
100784-20-1
UN Number
3077
Index Number
613-329-00-5
PubChem CID
91763

Physical-chemical properties

Molecular Formula
C13H15ClN6O7S
Molar Mass
434.81 g/mol
IUPAC Name
methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate

Chemical Identifiers

InChI
InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)
InChI Key
FMGZEUWROYGLAY-UHFFFAOYSA-N

Overview

Methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate (CAS 100784-20-1) is a sulfonylurea herbicide derivative with selective herbicidal activity and complex heterocyclic structure. This specialized chemical compound represents a sophisticated example of modern agrochemical design, featuring multiple heterocyclic rings including pyrazole and pyrimidine moieties connected through a sulfonamide bridge. With a molecular formula of C13H15ClN6O7S and molecular weight of 434.81 g/mol, this compound demonstrates the structural complexity typical of selective herbicide active ingredients. The presence of methoxy groups on the pyrimidine ring and the chloro substituent on the pyrazole core contributes to its specific biological activity profile. The compound is classified under significant safety considerations, bearing Repr. 1B classification indicating reproductive toxicity concerns, alongside Aquatic Acute 1 and Aquatic Chronic 1 classifications reflecting its environmental impact potential. These classifications necessitate careful handling protocols and environmental protection measures during storage, transport, and application. The GHS08 and GHS09 pictograms with "Danger" signal word emphasize the need for specialized safety equipment and trained personnel for handling operations. In industrial applications, this compound serves primarily in herbicide formulation development and agricultural research. Its sulfonylurea-like structure makes it valuable for selective weed control systems, particularly in crop protection applications where precision targeting of specific plant species is required. The compound also finds use in biochemical research studying plant enzyme inhibition mechanisms. Unlike structurally simpler compounds such as 2-(dimethylamino)ethanethioamide hydrochloride, this complex heterocyclic system offers enhanced selectivity profiles essential for modern agricultural applications. OYSI maintains availability of this specialized compound for qualified industrial and research customers requiring high-purity chemical intermediates.

Safety & Classification

Danger
Classification:

Repr. 1B; 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 NameHalosulfuron-methyl (ISO)
Marine PollutantNo

Frequently Asked Questions

What is methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate?

Methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate is a complex organic chemical compound with CAS number 100784-20-1 and molecular formula C13H15ClN6O7S. This substance has a molecular weight of 434.81 g/mol and contains multiple functional groups including pyrazole, pyrimidine, and sulfamoyl moieties. It is classified as a reproductive toxicant and aquatic hazard, requiring careful handling in professional applications.

What are the physicochemical properties of methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate?

Methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate is a solid organic compound at room temperature with a molecular weight of 434.81 g/mol. The presence of multiple polar functional groups including methoxy, carbamoyl, and sulfamoyl groups suggests moderate to good solubility in polar solvents. The compound contains both aromatic and aliphatic components, with chlorine substitution affecting its chemical reactivity and stability properties.

What is methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate used for?

Methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its complex structure containing pyrimidine and pyrazole rings makes it valuable for developing specialized compounds. The substance may serve as a building block for manufacturing active pharmaceutical ingredients or advanced chemical products requiring specific molecular functionalities in research and industrial applications.

How to handle methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate safely?

Methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate requires strict safety measures due to its reproductive toxicity classification (Repr. 1B). Mandatory personal protective equipment includes respiratory protection, chemical-resistant gloves, safety goggles, and protective clothing. Work must be conducted in well-ventilated areas or under fume extraction. Avoid skin contact, inhalation, and ingestion. Pregnant workers should not handle this substance due to reproductive hazards.

How to store methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate correctly?

Methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Storage areas must be restricted to authorized personnel due to reproductive toxicity hazards. Keep away from incompatible materials and ensure proper labeling with GHS08 and GHS09 pictograms. Implement appropriate spill containment measures to prevent environmental contamination.

What to do in case of contact with methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate?

Immediate medical attention is required for any contact with methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate due to its reproductive toxicity. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. If inhaled, move to fresh air immediately. In case of eye contact, flush with clean water for 15 minutes. Seek immediate medical advice and show the safety data sheet to medical personnel.

How to dispose of methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate appropriately?

Methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate must be disposed of as hazardous waste through authorized waste management companies due to its reproductive toxicity and aquatic hazard classifications. Never dispose of this substance in regular waste streams or release into the environment. Waste containers must be properly labeled and documentation maintained. Follow local and national regulations for hazardous waste disposal, including proper waste classification codes.

How to transport methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate?

Methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. Transport requires proper UN specification packaging with appropriate hazard labels and documentation. Vehicles must carry emergency response information and drivers need ADR certification. Packages must display the correct shipping name, UN number, and hazard pictograms while ensuring secure loading to prevent damage during transit.

Is methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate subject to special regulations?

Methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate is subject to strict European CLP regulation due to its reproductive toxicity (Repr. 1B) and aquatic hazard classifications. While not currently listed as an SVHC under REACH, it requires comprehensive safety data sheets, proper hazard communication, and restricted access. Companies must implement risk management measures and may need authorization for certain uses under occupational health regulations.

Where to buy methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate in Europe?

Methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this substance to qualified industrial and research customers with proper documentation and regulatory compliance. Due to its hazardous classification, purchase requires verification of intended use and appropriate handling capabilities. Contact OYSI directly for availability, technical specifications, and regulatory documentation for your specific application requirements.

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Methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate 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.