N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

C18H19F2N3O

CAS874967-67-6
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
874967-67-6
UN Number
3077
Index Number
616-235-00-2
PubChem CID
11688533

Physical-chemical properties

Molecular Formula
C18H19F2N3O
Molar Mass
331.40 g/mol
IUPAC Name
N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

Chemical Identifiers

InChI
InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)
InChI Key
XQJQCBDIXRIYRP-UHFFFAOYSA-N

Overview

N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CAS 874967-67-6) is a complex organic compound with pyrazole carboxamide structure featuring difluoromethyl and cyclopropyl substituents. This specialized chemical compound belongs to the pyrazole carboxamide family and exhibits a unique molecular architecture with its distinctive bicyclopropyl phenyl moiety and difluoromethyl-substituted pyrazole ring. With a molecular formula of C18H19F2N3O and molecular weight of 331.4 g/mol, this substance represents an advanced synthetic intermediate commonly utilized in pharmaceutical and agrochemical research applications. The compound's structural complexity, featuring multiple cyclopropyl rings attached to the phenyl group alongside the difluoromethyl pyrazole core, provides specific binding properties and biological activity profiles that make it valuable for specialized applications. Unlike simpler carbamate structures such as propan-2-yl N-(3-chlorophenyl)carbamate, this compound offers enhanced selectivity through its sophisticated ring system architecture. Safety considerations are paramount when handling this material, as it carries significant hazard classifications including carcinogenicity category 2 and acute aquatic toxicity. The compound requires Warning signal word labeling with GHS08 and GHS09 pictograms, indicating both health and environmental hazards. Transport classification under ADR class 9 necessitates proper packaging and documentation protocols. Primary industrial applications include pharmaceutical intermediate synthesis, agrochemical development, and specialized research applications where the unique structural features provide specific biological activity. The compound serves as a key building block in the development of targeted therapeutic agents and crop protection formulations. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European industrial customers requiring high-quality chemical intermediates for their research and development programs.

Safety & Classification

Warning
Classification:

Carc. 2; Aquatic Acute 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

H400

Very toxic to aquatic life.

H411

Toxic to aquatic life with long lasting effects.

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 NameSedaxan
Marine PollutantNo

Frequently Asked Questions

What is N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?

N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is a complex organic compound with the molecular formula C18H19F2N3O and CAS number 874967-67-6. This chemical substance has a molecular weight of 331.4 g/mol and belongs to the pyrazole-carboxamide family. It is classified as a Category 2 carcinogen and poses acute and chronic hazards to aquatic environments, requiring careful handling and regulatory compliance.

What are the physicochemical properties of N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?

This compound is an organic solid with a molecular weight of 331.4 g/mol and molecular formula C18H19F2N3O. The presence of difluoromethyl groups and cyclopropyl rings contributes to its structural complexity and stability. As a pyrazole-carboxamide derivative, it typically exhibits limited water solubility due to its hydrophobic cyclopropyl groups, while the carboxamide functionality may provide some polar character for interactions with biological systems.

What is N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide used for?

This compound is primarily used in specialized chemical research and pharmaceutical intermediate synthesis. Its complex structure containing cyclopropyl rings, difluoromethyl groups, and pyrazole-carboxamide moieties makes it valuable for medicinal chemistry applications and as a building block for more complex molecules. The specific structural features suggest potential applications in agrochemical or pharmaceutical development, though its carcinogenic classification limits its commercial use to professional settings only.

How to safely handle N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?

Safe handling requires appropriate personal protective equipment including nitrile gloves, safety goggles, and laboratory coats due to its Category 2 carcinogen classification. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and never eat, drink, or smoke when handling this substance. Wash hands thoroughly after use and follow strict hygiene protocols to prevent cross-contamination.

How to properly store N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?

Store this compound in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers properly labeled with hazard information and ensure storage areas are equipped with appropriate safety measures for carcinogenic materials. Maintain separation from incompatible materials and store in secondary containment to prevent environmental contamination. Access should be restricted to trained personnel only.

What to do in case of contact with N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?

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 at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always inform medical personnel about the substance's carcinogenic properties and provide the safety data sheet.

How to properly dispose of N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?

Disposal must be conducted through licensed hazardous waste disposal companies due to its carcinogenic classification and aquatic toxicity. The substance cannot be disposed of in regular waste streams or sewage systems. Collect waste in appropriate containers, clearly labeled with contents and hazard information. Follow local and national regulations for hazardous waste disposal, and maintain proper documentation of disposal activities for regulatory compliance.

How to transport N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?

This substance is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III, requiring appropriate dangerous goods packaging and documentation. Transport must comply with international dangerous goods regulations including proper labeling with GHS08 and GHS09 pictograms. Use UN-approved packaging and ensure proper shipping papers accompany the shipment. Only authorized personnel should handle transportation, and emergency response information must be readily available.

Is N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide subject to specific regulations?

This substance is subject to REACH regulation for chemical registration and must comply with CLP classification requirements as a Category 2 carcinogen. While not currently listed as a Substance of Very High Concern (SVHC), its carcinogenic properties require strict workplace exposure controls and risk assessment procedures. Companies must ensure proper classification, labeling, and safety data sheet provision according to European chemical legislation.

Where to buy N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound, providing quality products with proper regulatory documentation and safety data sheets. As an established chemical distributor, OYSI ensures compliance with European regulations and can provide technical support for safe handling and applications. Contact OYSI directly for availability, specifications, and regulatory compliance documentation required for your specific application needs.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.