3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide

C18H12F5N3O

CAS907204-31-3
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

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Identification

CAS Number
907204-31-3
UN Number
3077
Index Number
616-228-00-4
PubChem CID
16095400

Physical-chemical properties

Molecular Formula
C18H12F5N3O
Molar Mass
381.30 g/mol
IUPAC Name
3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide

Chemical Identifiers

InChI
InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)
InChI Key
SXSGXWCSHSVPGB-UHFFFAOYSA-N

Overview

3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide (CAS 907204-31-3) is a fluorinated pyrazole derivative with notable biological activity and environmental persistence characteristics. This specialized fluorinated compound belongs to the pyrazole carboxamide family, featuring a complex molecular structure with multiple fluorine substituents that confer unique chemical and biological properties. With a molecular formula of C18H12F5N3O and molecular weight of 381.3 g/mol, this substance exhibits high structural specificity due to its difluoromethyl and trifluorophenyl functional groups. The compound is classified under GHS hazard class with aquatic toxicity concerns, requiring careful environmental consideration during handling and disposal. Its classification as Aquatic Acute 1 and Aquatic Chronic 1 indicates significant environmental persistence and potential bioaccumulation. The ADR Class 9 designation identifies it as a miscellaneous dangerous substance requiring appropriate transport protocols. From a safety perspective, this pyrazole derivative requires professional handling procedures due to its environmental impact profile. Unlike simpler compounds such as 2-methylpropyl 2-(oxiran-2-yl)acetate, this fluorinated structure demonstrates enhanced stability and persistence in environmental systems. Primary industrial applications include specialized pharmaceutical intermediates, advanced materials synthesis, and research applications where fluorinated pyrazole structures provide specific biological or chemical functionality. The compound's unique substitution pattern makes it valuable for developing novel bioactive molecules and specialized chemical products. The multiple fluorine atoms contribute to enhanced metabolic stability and altered physicochemical properties compared to non-fluorinated analogs. This characteristic profile supports its use in applications requiring long-term stability and specific biological interactions. OYSI maintains reliable supply chains for this specialized fluorinated compound, supporting European customers with comprehensive technical documentation and regulatory compliance assistance for professional applications.

Safety & Classification

Warning
Classification:

Lact.; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H362

May cause harm to breast-fed children.

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 NameFluxapyroxad
Marine PollutantNo

Frequently Asked Questions

What is 3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide?

3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide is a fluorinated organic compound with the molecular formula C18H12F5N3O and CAS number 907204-31-3. This pyrazole-based carboxamide has a molecular weight of 381.3 g/mol and contains multiple fluorine atoms in its structure. It belongs to the class of specialized chemical intermediates used in various industrial applications.

What are the physico-chemical properties of 3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide?

This compound is characterized by its highly fluorinated structure containing five fluorine atoms, which typically confers chemical stability and lipophilicity. The presence of the pyrazole ring and carboxamide functional group influences its solubility profile and reactivity. As a specialized organic compound with molecular weight 381.3 g/mol, its physical properties are influenced by the electron-withdrawing fluorine substituents and aromatic ring systems.

What is 3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide used for?

This fluorinated pyrazole carboxamide is typically used as a chemical intermediate in pharmaceutical synthesis and agrochemical manufacturing. Its unique structural features, including multiple fluorine atoms and the pyrazole core, make it valuable for developing bioactive compounds. The compound may serve as a building block in medicinal chemistry research and in the production of specialized materials requiring fluorinated components.

How to handle 3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide safely?

Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to minimize exposure. Given its environmental hazard classification (GHS09), avoid release to the environment. Follow standard laboratory safety protocols for organic chemicals and ensure proper training before handling. Always consult the safety data sheet for specific precautions.

How to store 3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide correctly?

Store this compound in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep away from heat sources, ignition sources, and direct sunlight. As an organic compound with environmental hazard classification, ensure containment systems prevent environmental release. Use appropriate secondary containment and maintain proper inventory records. Store according to local regulations for hazardous chemicals.

What to do in case of contact with 3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide?

In case of skin contact, immediately remove contaminated clothing and wash the affected area with plenty of water for at least 15 minutes. For eye contact, rinse immediately with water for 15 minutes and seek medical attention. If inhaled, move to fresh air and seek medical advice if symptoms occur. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.

How to dispose of 3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide appropriately?

Disposal must comply with local, national, and international waste regulations due to its environmental hazard classification (Aquatic Acute 1; Aquatic Chronic 1). Do not release to sewers, waterways, or environment. Arrange disposal through licensed hazardous waste contractors specializing in chemical waste treatment. Consider incineration at appropriate high-temperature facilities. Maintain proper waste documentation and follow chain of custody procedures for hazardous waste disposal.

How to transport 3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide?

This compound is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III, indicating it requires specific transport regulations. Use appropriate UN-specification packaging and proper shipping documentation. Ensure packages are properly labeled and marked according to ADR requirements. Transport vehicles must comply with ADR regulations for Class 9 substances. Always coordinate with qualified dangerous goods transport providers familiar with chemical logistics.

Is 3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide subject to particular regulations?

This compound is subject to EU REACH regulation for chemical registration, evaluation, and authorization. It is not currently listed as a Substance of Very High Concern (SVHC). The compound falls under CLP regulation for classification, labeling, and packaging requirements, carrying the Warning signal word and GHS09 pictogram. Users must comply with occupational health and environmental protection regulations when handling and using this substance.

Where to buy 3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound, offering supply to industrial and research customers across Europe. As an established chemical distributor, OYSI ensures proper handling, storage, and transportation according to regulatory requirements. Contact OYSI directly for availability, technical specifications, and ordering information. Professional chemical distributors like OYSI provide the necessary documentation and regulatory compliance for European markets.

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3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]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.