3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide

C16H16Cl3F2N3O2

CAS1228284-64-7
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

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Identification

CAS Number
1228284-64-7
UN Number
3077
Index Number
616-234-00-7
PubChem CID
56933411

Physical-chemical properties

Molecular Formula
C16H16Cl3F2N3O2
Molar Mass
426.70 g/mol
IUPAC Name
3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide

Chemical Identifiers

InChI
InChI=1S/C16H16Cl3F2N3O2/c1-8(4-10-12(18)5-9(17)6-13(10)19)24(26-3)16(25)11-7-23(2)22-14(11)15(20)21/h5-8,15H,4H2,1-3H3
InChI Key
DGOAXBPOVUPPEB-UHFFFAOYSA-N

Overview

3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide (CAS 1228284-64-7) is a halogenated pyrazole carboxamide compound with difluoromethyl and trichlorophenyl functional groups. This complex organic molecule represents a sophisticated example of modern synthetic chemistry, featuring multiple halogen substitutions and a pyrazole core structure that confers specific chemical properties. The compound's molecular formula C16H16Cl3F2N3O2 reflects its substantial halogen content, with three chlorine atoms and two fluorine atoms contributing to its molecular weight of 426.7 g/mol. The presence of both methoxy and carboxamide functional groups alongside the heavily substituted aromatic systems creates a molecule with distinct physicochemical characteristics. From a safety perspective, this substance requires careful handling due to its classification as a Category 2 carcinogen and reproductive toxicant, warranting the GHS08 health hazard pictogram and "Warning" signal word. Additionally, its environmental classification as Aquatic Acute 1 and Aquatic Chronic 1, indicated by the GHS09 environmental pictogram, demonstrates significant aquatic toxicity concerns. The ADR Class 9 classification further emphasizes the need for appropriate transport and storage protocols. The compound's structural complexity positions it within specialized chemical applications, particularly in pharmaceutical intermediates and agrochemical synthesis where halogenated pyrazole derivatives are valued. Unlike simpler structures such as 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea, this molecule's multiple functional groups enable more targeted biological activity. Industrial applications typically include use as a building block in pesticide formulation and pharmaceutical research, where the trichlorophenyl moiety provides enhanced stability and bioactivity. OYSI maintains availability of this specialized compound for qualified industrial customers requiring high-purity halogenated heterocycles for research and manufacturing applications.

Safety & Classification

Warning
Classification:

Carc. 2; Repr. 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 NamePydiflumetofen
Marine PollutantNo

Frequently Asked Questions

What is 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide?

3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide is a synthetic organic compound with CAS number 1228284-64-7 and molecular formula C16H16Cl3F2N3O2. This complex molecule features a pyrazole ring structure substituted with difluoromethyl, methoxy, and trichlorophenyl groups. With a molecular weight of 426.7 g/mol, it belongs to the carboxamide family and exhibits significant biological activity properties.

What are the physicochemical properties of 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide?

This compound is typically a solid at room temperature due to its high molecular weight of 426.7 g/mol and complex structure containing multiple halogen substituents. The presence of three chlorine atoms and two fluorine atoms, along with the aromatic pyrazole ring, contributes to its chemical stability. The compound's solubility characteristics are influenced by both hydrophobic aromatic regions and polar functional groups including the carboxamide and methoxy substituents.

What is 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide used for?

This compound is primarily used as an active ingredient in agricultural applications, specifically as a fungicide for crop protection. Its complex molecular structure with halogenated substituents provides effective biological activity against various fungal pathogens. The compound is utilized in professional agricultural settings and industrial formulations where precise fungal control is required, particularly in specialized crop protection programs.

How to handle 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide safely?

Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Carc. 2 and Repr. 2 classifications. Work should be conducted in well-ventilated areas or under fume extraction systems. Avoid skin and eye contact, inhalation, and ingestion. The GHS08 pictogram indicates serious health hazards, requiring strict adherence to safety protocols and regular health monitoring for occupational exposure.

How to store 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide correctly?

Store this compound in a cool, dry, well-ventilated area away from incompatible materials and ignition sources. Due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications, storage areas must be designed to prevent environmental release. Use original labeled containers with secure closures, maintain temperature stability, and implement secondary containment measures. Access should be restricted to authorized personnel with appropriate safety training.

What to do in case of contact with 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide?

Immediate decontamination is essential for any contact. For skin contact, remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention, providing the safety data sheet to medical personnel.

How to dispose of 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide appropriately?

Disposal must comply with local and national hazardous waste regulations due to its carcinogenic and reproductive toxicity classifications. The compound requires treatment as hazardous waste and cannot be disposed of in regular waste streams. Contact licensed hazardous waste disposal companies for proper collection and treatment. Due to its aquatic toxicity, prevent any release to water systems or soil during disposal processes.

How to transport 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide?

This compound is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. It requires appropriate UN-specification packaging with proper labeling and documentation. Transport vehicles must carry emergency response information and appropriate safety equipment. Drivers require ADR training certification, and the shipment must comply with routing restrictions and quantity limitations established by dangerous goods regulations.

Is 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide subject to special regulations?

Yes, this compound is subject to multiple regulatory frameworks including REACH registration requirements in the EU and CLP classification obligations. Its Carc. 2 and Repr. 2 classifications trigger specific workplace exposure limits and health surveillance requirements. While not currently listed as a SVHC, its hazard profile requires compliance with occupational safety regulations and potential restrictions under various chemical control legislations across European jurisdictions.

Where to buy 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound, providing professional-grade materials with complete regulatory documentation and safety data sheets. As an established chemical distributor, OYSI ensures compliance with European regulations and maintains proper handling and storage protocols. Contact OYSI directly for availability, technical specifications, and regulatory support to meet your specific application requirements in the European market.

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3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide 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.