5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
C18H24FN3O
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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 compound with selective biological activity and environmental persistence concerns. This specialized organic compound belongs to the pyrazole carboxamide family, characterized by its unique molecular structure combining a fluorinated pyrazole ring with an elaborate phenyl substituent. With a molecular formula of C18H24FN3O and molecular weight of 317.4 g/mol, this substance exhibits distinct physicochemical properties that make it valuable for specific industrial applications requiring selective biological activity. The compound presents significant safety considerations, classified as a Category 2 carcinogen with acute and chronic aquatic toxicity. The GHS08 health hazard and GHS09 environmental pictograms reflect these concerns, requiring careful handling protocols and environmental protection measures. Its ADR Class 9 classification indicates miscellaneous dangerous goods status for transportation purposes. Industrial applications typically include use as an active ingredient in specialized formulations where selective biological activity is required, particularly in agricultural chemistry and pharmaceutical intermediates. The compound's structural similarity to other nitrogen-containing heterocycles like 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine makes it valuable in comparative research and development programs. Its fluorinated pyrazole structure provides enhanced stability and bioactivity compared to non-fluorinated analogs. The environmental persistence characteristics, indicated by its aquatic toxicity classification, require specialized waste management and application protocols. Manufacturing and handling facilities must implement appropriate containment and disposal procedures to minimize environmental impact. OYSI maintains availability of this technical grade compound for qualified industrial customers with appropriate handling capabilities and regulatory compliance requirements.
Safety & Classification
Carc. 2; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Penflufen |
| Marine Pollutant | No |
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 a synthetic organic 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 class. The compound is classified as a category 2 carcinogen and poses acute and chronic aquatic toxicity risks, requiring careful handling and environmental protection measures.
What are the physicochemical 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 an organic solid compound with a molecular weight of 317.4 g/mol. The molecule contains a fluorine atom, multiple methyl groups, and an aromatic phenyl ring, contributing to its lipophilic character. As a pyrazole carboxamide derivative, it likely exhibits moderate stability under normal conditions but may be sensitive to extreme pH or temperature conditions.
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 as an active ingredient in agricultural applications, particularly as a fungicide. This pyrazole carboxamide compound is employed for crop protection against various fungal diseases. It may also serve as an intermediate in pharmaceutical research and development. Industrial applications include formulation into plant protection products and use in agrochemical manufacturing processes.
How to handle 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide safely?
5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide requires careful handling due to its carcinogenic properties (Carc. 2). Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection. Work in well-ventilated areas or under fume hoods to minimize inhalation exposure. Avoid skin contact and ingestion. Use appropriate engineering controls and follow ALARA (As Low As Reasonably Achievable) principles when handling this substance.
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 heat sources and direct sunlight. Keep containers tightly sealed to prevent moisture absorption and contamination. Store away from incompatible materials such as strong oxidizers and acids. Due to its carcinogenic classification, implement restricted access storage with appropriate warning labels and maintain an inventory log for tracking purposes.
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 measures for 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide exposure include: skin contact - remove contaminated clothing and wash thoroughly with soap and water; eye contact - flush with clean water for at least 15 minutes; inhalation - move to fresh air immediately; ingestion - do not induce vomiting, rinse mouth with water. Seek immediate medical attention in all cases, especially given the carcinogenic properties. Provide safety data sheet to medical personnel.
How to dispose of 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide appropriately?
5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide must be disposed of as hazardous waste due to its carcinogenic and aquatic toxicity properties. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never dispose of via regular waste streams or sewage systems due to environmental toxicity (Aquatic Acute 1, Aquatic Chronic 1). Follow local and European waste regulations (Waste Framework Directive) and maintain disposal documentation for regulatory compliance.
How to transport 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 classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III. Transport requires appropriate UN-approved packaging with proper hazard labels and documentation. Vehicles must carry appropriate emergency equipment and drivers need ADR certification. The shipment must be accompanied by transport documents including safety data sheets and emergency response information due to its carcinogenic and environmental hazard properties.
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 European REACH and CLP regulations requiring registration and classification. As a carcinogenic substance (Carc. 2), it may face restrictions under REACH Annex XVII. The compound requires appropriate GHS labeling with warning pictogrammes GHS08 and GHS09. It is not currently listed as a Substance of Very High Concern (SVHC) but remains subject to 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. As experienced chemical suppliers, OYSI provides this compound with full regulatory compliance documentation including safety data sheets and certificates of analysis. Contact OYSI directly for availability, technical specifications, and regulatory support to ensure proper handling and compliance with European chemical regulations.
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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.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.