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

C18H12F5N3O

CAS907204-31-3
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 carboxamide compound with potent biological activity and environmental hazard classification. This highly fluorinated organic compound represents an advanced chemical intermediate featuring a complex molecular architecture with multiple fluorine substituents. With the molecular formula C18H12F5N3O and a molecular weight of 381.3 g/mol, this pyrazole derivative exhibits unique properties derived from its extensive fluorination pattern, including difluoromethyl and trifluorophenyl moieties. The compound's structure incorporates a pyrazole ring system linked to a biphenyl framework, creating a rigid molecular geometry that contributes to its specific biological and chemical properties. The substance carries significant environmental hazard classifications, including Aquatic Acute 1 and Aquatic Chronic 1 categories, indicating high toxicity to aquatic organisms with long-lasting effects. The GHS09 pictogram and "Warning" signal word reflect its environmental impact potential. As a Class 9 ADR substance, it requires specialized handling and transportation protocols to ensure safety and regulatory compliance. In industrial applications, this compound primarily serves as a pharmaceutical intermediate and agrochemical precursor, where its fluorinated structure provides enhanced stability and bioactivity. The chemical industry also utilizes such fluorinated pyrazoles in specialty chemical synthesis and materials science applications. Unlike simpler compounds such as 2-methylpropyl 2-(oxiran-2-yl)acetate, this complex fluorinated structure offers unique reactivity profiles essential for advanced synthetic pathways. OYSI maintains reliable European supply chains for this specialized compound, supporting research institutions and industrial customers with consistent quality and regulatory documentation.

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 derivative contains multiple fluorine atoms and has a molecular weight of 381.3 g/mol. It belongs to the carboxamide chemical family and exhibits specific hazard properties including lactation toxicity and aquatic toxicity, requiring careful handling in professional applications.

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

This compound is a solid organic substance with a molecular weight of 381.3 g/mol and contains five fluorine atoms in its structure. The presence of multiple fluorine substituents typically influences its lipophilicity and metabolic stability. As a pyrazole carboxamide derivative, it likely exhibits limited water solubility due to its aromatic structure and molecular size. The compound's physical appearance and exact solubility parameters should be confirmed through technical specifications from the supplier.

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

This fluorinated pyrazole compound is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. Its structural features, including the pyrazole ring and fluorinated substituents, make it valuable for developing bioactive molecules with enhanced metabolic stability. The compound may serve as a building block for creating more complex molecules in medicinal chemistry research and industrial chemical manufacturing processes requiring specialized fluorinated intermediates.

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 due to its lactation toxicity classification. Work should be conducted in well-ventilated areas or under fume extraction systems to minimize inhalation exposure. Avoid direct skin and eye contact, and implement proper hygiene measures including thorough handwashing after handling. Follow standard laboratory safety protocols for handling hazardous organic compounds and maintain emergency procedures readily accessible.

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

Proper storage requires keeping the compound in a cool, dry, well-ventilated area away from incompatible materials and ignition sources. Store in tightly sealed original containers to prevent moisture absorption and contamination. Due to its aquatic toxicity classification, implement measures to prevent environmental release during storage. Maintain appropriate temperature conditions as specified by the supplier and ensure storage areas comply with local regulations for hazardous chemical storage.

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

Immediate first aid measures include removing contaminated clothing and flushing affected skin or eyes with plenty of clean water for at least 15 minutes. If inhaled, move the person to fresh air immediately and seek medical attention if breathing difficulties occur. In case of ingestion, do not induce vomiting and seek immediate medical attention. Given the compound's lactation toxicity classification, prompt medical evaluation is essential for any significant exposure incident.

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

Disposal must comply with local and national hazardous waste regulations due to the compound's aquatic toxicity classification (Aquatic Acute 1, Aquatic Chronic 1). Never dispose of this substance through regular waste streams or pour into drains, soil, or water bodies. Contact licensed hazardous waste disposal companies for proper treatment and destruction. Maintain detailed disposal records and ensure packaging meets regulatory requirements for hazardous waste transport and disposal.

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

Transportation is regulated under ADR Class 9 (Miscellaneous dangerous goods) with Packing Group III classification. This requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Shipments must include proper hazard identification, safety data sheets, and comply with carrier-specific requirements for Class 9 materials. Professional logistics providers experienced in hazardous chemical transport should handle shipment arrangements to ensure regulatory compliance and safety.

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

This compound is subject to CLP regulation classification with Warning signal word and GHS09 pictogram for environmental hazards. It requires safety data sheets and proper hazard communication under REACH and CLP frameworks. The substance is not currently listed as SVHC (Substance of Very High Concern). Companies handling this chemical must comply with occupational safety regulations, environmental protection requirements, and maintain appropriate risk assessments for workplace use.

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

OYSI is a European chemical distributor offering this specialized fluorinated compound to professional customers across Europe. As an established supplier of technical chemicals, OYSI provides appropriate documentation, safety data sheets, and regulatory compliance support for this substance. Contact OYSI directly for availability, specifications, and ordering information. Ensure your application and handling capabilities meet the safety and regulatory requirements for this hazard-classified chemical before purchasing.

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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.