N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide
C18H17F4NO2
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Identification
- CAS Number
- 113614-08-7
- UN Number
- 3077
- Index Number
- 616-165-00-2
- PubChem CID
- 6451159
Physical-chemical properties
- Molecular Formula
- C18H17F4NO2
- Molar Mass
- 355.30 g/mol
- IUPAC Name
- N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide
Chemical Identifiers
- InChI
- InChI=1S/C18H17F4NO2/c1-2-16(17(24)23-11-12-6-4-3-5-7-12)25-13-8-9-15(19)14(10-13)18(20,21)22/h3-10,16H,2,11H2,1H3,(H,23,24)
- InChI Key
- FFQPZWRNXKPNPX-UHFFFAOYSA-N
Overview
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide (CAS 113614-08-7) is a fluorinated aromatic compound with significant environmental impact classification requiring specialized handling protocols. This specialized chemical compound features a complex molecular structure incorporating both fluorine and trifluoromethyl functional groups, which contribute to its unique chemical properties and industrial applications. With a molecular formula of C18H17F4NO2 and molecular weight of 355.3 g/mol, this substance represents an important class of fluorinated organic compounds used in various technical applications. The compound's safety profile requires careful consideration, as it is classified under the globally harmonized system with environmental hazard pictogram GHS09 and carries a "Warning" signal word. Its classification as Aquatic Acute 1 and Aquatic Chronic 1 indicates significant potential environmental impact, particularly concerning aquatic ecosystems. The ADR classification of Class 9 designates it as a miscellaneous dangerous substance for transportation purposes, necessitating appropriate packaging and handling procedures during shipping and storage. From a structural perspective, this compound shares certain characteristics with other complex organic molecules such as 1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide, though each serves distinct industrial purposes. The presence of the benzyl group and phenoxy moiety makes it particularly suitable for applications in specialty chemical synthesis, pharmaceutical intermediates, and advanced material formulations. Primary industrial applications include use as an intermediate in organic synthesis processes, specialized coating formulations, and research applications requiring fluorinated compounds. Its unique chemical structure makes it valuable for developing products where fluorine chemistry provides enhanced performance characteristics. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for technical applications across European markets.
Safety & Classification
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 | Beflubutamid (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide?
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide is an organofluorine compound with the molecular formula C18H17F4NO2 and CAS number 113614-08-7. This chemical substance contains multiple fluorine atoms including a trifluoromethyl group, with a molecular weight of 355.3 g/mol. It belongs to the butanamide class of compounds and features both aromatic benzyl and phenoxy moieties in its structure, making it a complex fluorinated organic molecule.
What are the physicochemical properties of N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide?
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide has a molecular weight of 355.3 g/mol and contains four fluorine atoms in its structure. The presence of fluorine atoms, particularly the trifluoromethyl group, typically imparts chemical stability and influences solubility properties. The compound features aromatic rings which contribute to its structural rigidity. Specific physical properties such as melting point, boiling point, and exact solubility data would require detailed analytical characterization for precise determination.
What is N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide used for?
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide is typically used in specialized chemical applications where fluorinated compounds are required. The presence of multiple fluorine atoms makes it potentially valuable in pharmaceutical research, agrochemical development, or as an intermediate in organic synthesis. Its specific molecular structure suggests potential use in developing bioactive compounds or materials requiring enhanced chemical stability. However, specific industrial applications depend on detailed performance characteristics and regulatory approvals for intended uses.
How to handle N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide safely?
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide requires careful handling with appropriate personal protective equipment including chemical-resistant gloves, safety glasses, and protective clothing. Work should be conducted in well-ventilated areas or under fume extraction systems to prevent inhalation exposure. Given its environmental hazard classification (GHS09), special precautions must be taken to prevent environmental release. Always handle in accordance with good laboratory practices and ensure proper training before use.
How to store N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide correctly?
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from incompatible materials. Storage areas must be designed to prevent environmental release due to its aquatic toxicity classification. Keep containers properly labeled and segregated from other chemicals. Storage facilities should include secondary containment measures and be accessible only to trained personnel. Regular inspection of storage conditions and container integrity is recommended.
What to do in case of contact with N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide?
Immediate action is required in case of contact with N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of eye contact, flush immediately with plenty of clean water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air and seek medical advice if symptoms develop. For ingestion, seek immediate medical attention without inducing vomiting.
How to dispose of N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide appropriately?
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide must be disposed of as hazardous waste through licensed waste disposal companies due to its environmental hazard classification. The substance cannot be released to sewers, waterways, or regular waste streams because of its aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1). Disposal must comply with local, national, and EU waste regulations including proper documentation and tracking. Incineration at authorized high-temperature facilities may be the preferred disposal method.
How to transport N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide?
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Packages must bear proper shipping names, UN numbers, and hazard labels. Transport vehicles must comply with ADR requirements including equipment and driver training. Shipping documentation must include proper declarations and emergency response information.
Is N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide subject to specific regulations?
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide is subject to REACH regulation for registration, evaluation, and authorization of chemicals in the European Union. The substance must comply with CLP regulation for classification, labeling, and packaging, displaying GHS09 pictogram and 'Warning' signal word. It is not currently listed as a Substance of Very High Concern (SVHC). Users must follow occupational exposure limits and environmental protection requirements as specified in relevant safety data sheets.
Where to buy N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide in Europe?
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to qualified industrial and research customers across Europe with proper documentation and regulatory compliance. As a technical chemical with specific handling requirements, procurement requires appropriate qualifications and intended use declaration. Contact OYSI directly for availability, technical specifications, and regulatory documentation to ensure compliance with your specific application requirements.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.