5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide

C18H24FN3O

CAS494793-67-8
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

Consulting for 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide

Our experts support you with application, dosage, and compliance.

Request Consultation

Identification

CAS Number
494793-67-8
UN Number
3077
Index Number
616-231-00-0
PubChem CID
11674113

Physical-chemical properties

Molecular Formula
C18H24FN3O
Molar Mass
317.40 g/mol
IUPAC Name
5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide

Chemical Identifiers

InChI
InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)
InChI Key
GOFJDXZZHFNFLV-UHFFFAOYSA-N

Overview

5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide (CAS 494793-67-8) is a fluorinated pyrazole carboxamide derivative with specialized industrial applications and significant environmental hazard classification. This complex organic compound features a pyrazole ring system substituted with fluorine and methyl groups, coupled to a phenyl carboxamide moiety bearing a branched alkyl chain. The molecular structure (C18H24FN3O) with a molecular weight of 317.4 g/mol exhibits specific chemical properties that make it valuable in various technical applications. The presence of the fluorine atom enhances the compound's stability and bioactivity, while the substituted phenyl ring contributes to its lipophilic characteristics. From a safety perspective, this substance requires careful handling due to its classification as a Category 2 carcinogen and its acute and chronic aquatic toxicity (Aquatic Acute 1; Aquatic Chronic 1). The compound displays GHS08 and GHS09 pictograms with a "Warning" signal word, indicating both health and environmental hazards. Transportation falls under ADR Class 9, designating it as a miscellaneous dangerous substance requiring appropriate packaging and documentation. The compound finds primary applications in agricultural chemistry as an active ingredient in specialized formulations, pharmaceutical intermediate synthesis, and research applications in medicinal chemistry. Its structural similarity to other bioactive compounds like 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine makes it valuable in comparative studies and structure-activity relationship research. Industrial users often employ it in the development of crop protection products where its unique fluorinated pyrazole structure provides enhanced efficacy. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for qualified industrial customers requiring technical-grade materials.

Safety & Classification

Warning
Classification:

Carc. 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 NamePenflufen
Marine PollutantNo

Frequently Asked Questions

What is 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide?

5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide is an organic chemical compound with CAS number 494793-67-8 and molecular formula C18H24FN3O. This pyrazole derivative has a molecular weight of 317.4 g/mol and belongs to the carboxamide chemical family. The compound is classified as hazardous due to its potential carcinogenic properties and aquatic toxicity, requiring careful handling in industrial applications.

What are the physico-chemical properties of 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide?

5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide is a solid compound at room temperature with a molecular weight of 317.4 g/mol. The molecule contains fluorine, nitrogen, and oxygen functional groups attached to a pyrazole ring system. Its solubility characteristics and exact physical appearance depend on purity and crystalline form. The compound's chemical structure includes both aromatic and aliphatic components, influencing its stability and reactivity profiles.

What is 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide used for?

5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide is primarily used in pharmaceutical research and development as an intermediate or active pharmaceutical ingredient. The compound may also serve applications in agrochemical synthesis and specialized chemical manufacturing. Its pyrazole structure makes it valuable for developing bioactive molecules. Due to its hazardous classification, usage is restricted to professional industrial settings with appropriate safety measures and regulatory compliance.

How to handle 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide safely?

Safe handling of 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection. Work in well-ventilated areas or under fume hoods to minimize inhalation exposure. Avoid skin and eye contact due to potential carcinogenic properties. Ensure proper training for personnel handling this substance. Follow strict hygiene protocols including hand washing after handling. Use only in designated chemical work areas with appropriate emergency equipment readily available.

How to store 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide correctly?

5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed to prevent moisture absorption and contamination. Store in original labeled containers in designated chemical storage areas with restricted access. Maintain storage temperature according to supplier specifications. Implement proper inventory management and ensure containers are properly labeled with hazard information. Keep away from heat sources, oxidizing agents, and reactive chemicals.

What to do in case of contact with 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide?

Immediate first aid for contact with 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide includes removing contaminated clothing and flushing affected skin with plenty of water for at least 15 minutes. For eye contact, rinse continuously with water and seek immediate medical attention. If inhaled, move person to fresh air and monitor breathing. Do not induce vomiting if swallowed; rinse mouth and seek medical advice immediately. Always consult the safety data sheet for specific emergency procedures and contact emergency services if necessary.

How to dispose of 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide appropriately?

Appropriate disposal of 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide must comply with local and national hazardous waste regulations due to its carcinogenic classification and aquatic toxicity. Dispose through licensed hazardous waste contractors only. Never dispose via regular waste streams or drain systems. Collect waste in appropriate labeled containers and maintain disposal records. Consider incineration at authorized high-temperature facilities as the preferred destruction method. Consult local environmental authorities for specific disposal requirements in your region.

How to transport 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide?

Transportation of 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide follows ADR classification as Class 9 (Miscellaneous Dangerous Goods), Packing Group III. Use appropriate UN-approved packaging with proper hazard labels and documentation. Transport vehicles must comply with ADR requirements including driver training and emergency equipment. Ensure packages are properly secured and labeled with correct shipping names and hazard markings. Maintain transport documentation including safety data sheets and emergency response information throughout the journey.

Is 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide subject to specific regulations?

5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide is subject to REACH registration requirements in Europe and CLP classification as Category 2 carcinogen with aquatic toxicity. The compound requires proper hazard communication through safety data sheets and GHS labeling with Warning signal word, GHS08 and GHS09 pictograms. While not currently listed as SVHC, its carcinogenic classification means it may face future restrictions. Users must comply with occupational exposure limits and environmental protection measures.

Where to buy 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide in Europe?

5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound to qualified industrial customers with proper handling capabilities and regulatory compliance. Due to its hazardous classification, purchase requires verification of appropriate facilities and trained personnel. Contact OYSI directly for availability, technical specifications, and regulatory documentation. All shipments include comprehensive safety data sheets and proper hazard labeling.

Services for 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide

ADR Consulting for 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide

5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide is a dangerous good. We support you with labeling, packaging, and transport documentation.

Request ADR Advice

Data Sources

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