N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide

C18H17F4NO2

CAS113614-08-7
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 specialized industrial applications and aquatic toxicity properties. This synthetic organic compound features a complex molecular structure combining fluorinated aromatic systems with an amide functional group, resulting in unique chemical properties that make it valuable for specific industrial applications. With a molecular formula of C18H17F4NO2 and molecular weight of 355.3 g/mol, this substance belongs to the class of fluorinated phenoxybutanamides, characterized by the presence of both fluoro and trifluoromethyl substituents on the aromatic ring. The compound's safety profile requires careful handling due to its classification as Aquatic Acute 1 and Aquatic Chronic 1, indicating significant environmental hazards to aquatic ecosystems. The GHS09 pictogram and "Warning" signal word reflect these environmental concerns, while its ADR Class 9 classification designates it as a miscellaneous dangerous substance for transportation purposes. These hazard classifications necessitate proper storage, handling protocols, and waste management procedures to prevent environmental contamination. Industrial applications typically include use as an intermediate in pharmaceutical synthesis and specialty chemical manufacturing. The fluorinated structure provides enhanced stability and bioactivity, making it particularly valuable in the development of agrochemical formulations and pharmaceutical compounds. Unlike simpler compounds such as copper(1+) thiocyanate, this molecule's complex fluorinated architecture enables more specialized applications requiring precise molecular interactions. The trifluoromethyl group imparts lipophilicity and metabolic stability, while the benzyl amide moiety contributes to molecular recognition properties. These characteristics make the compound suitable for applications in material science and as a building block for more complex molecular structures. OYSI maintains reliable supply chains for N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide to support European industrial customers requiring this specialized fluorinated compound.

Safety & Classification

Warning
Classification:

Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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 NameBeflubutamid (ISO)
Marine PollutantNo

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 organic compound with the molecular formula C18H17F4NO2 and CAS number 113614-08-7. This substance has a molecular weight of 355.3 g/mol and contains multiple fluorine atoms in its structure, including a trifluoromethyl group. It belongs to the amide class of organic compounds and exhibits significant environmental hazard properties, being classified as highly toxic to aquatic life with long-lasting effects.

What are the physicochemical properties of N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide?

N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide is an organic solid with a molecular weight of 355.3 g/mol. The compound contains four fluorine atoms, which typically confer stability and lipophilic properties. The presence of the trifluoromethyl group and fluorinated aromatic ring suggests low volatility and potential resistance to degradation. Specific physical properties such as melting point, solubility, and appearance would require laboratory analysis or detailed technical specifications from the manufacturer.

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 as a research chemical or intermediate in pharmaceutical and agrochemical synthesis. The fluorinated structure suggests potential applications in developing bioactive compounds, as fluorine substitution often enhances biological activity and metabolic stability. It may serve as a building block in medicinal chemistry or as a reference standard in analytical applications. Specific industrial uses depend on the manufacturer's intended applications and regulatory approvals.

How to handle N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide safely?

N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide should be handled with standard laboratory safety protocols. Wear appropriate personal protective equipment including gloves, safety glasses, and lab coats. Work in well-ventilated areas or under fume hoods to prevent inhalation. Given its aquatic toxicity classification, prevent environmental release. Avoid skin and eye contact, and wash hands thoroughly after handling. Follow your organization's chemical safety procedures and consult the safety data sheet for specific handling requirements.

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 a cool, dry place away from heat sources and direct sunlight. Keep containers tightly closed in original packaging to prevent contamination and moisture absorption. Store separately from incompatible materials and ensure proper labeling with hazard information. Given its environmental hazard classification, implement measures to prevent accidental release. Maintain storage areas with appropriate ventilation and temperature control according to manufacturer specifications.

What to do in case of contact with N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide?

In case of skin contact with N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide, immediately wash the affected area with soap and water for at least 15 minutes. For eye contact, flush with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures and contact emergency services if serious exposure occurs.

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 due to its environmental toxicity classification. Contact licensed waste disposal companies specializing in chemical waste management. Never dispose of this substance in regular trash, drains, or soil due to its high aquatic toxicity. Follow local environmental regulations and your organization's waste disposal procedures. Ensure proper documentation of waste disposal and use appropriate packaging to prevent environmental contamination during transport to disposal facilities.

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 goods), Packing Group III. This classification requires specific packaging, marking, and documentation for transport. Use UN-approved packaging suitable for Class 9 substances and ensure proper hazard labels are affixed. Transport documentation must include the correct shipping name and UN number. Only use carriers qualified for dangerous goods transport and ensure compliance with international transport regulations for safe delivery.

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 in Europe and must comply with CLP classification requirements. It carries Warning signal word and GHS09 pictogram for environmental hazards. The substance is not currently listed as SVHC (Substance of Very High Concern). Users must follow safety data sheet requirements and may need to register uses under REACH depending on quantities. Compliance with national chemical safety regulations and environmental protection laws is mandatory for commercial use.

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 European distributor of specialty chemicals. OYSI provides reliable supply of research chemicals and intermediates to customers across Europe with proper documentation and regulatory compliance. Contact OYSI directly for availability, technical specifications, and pricing information. As a specialized chemical, this compound may require advance ordering and is typically supplied to qualified laboratories and industrial users with appropriate handling capabilities and regulatory permissions.

Data Sources

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