Chemical Identity and Structure

2-Ethyl-4-fluoro-1-nitrobenzene is a substituted benzene bearing three distinct substituents: a nitro group (–NO2) at the 1-position, an ethyl group (–C2H5) at the 2-position, and a fluorine atom at the 4-position. This arrangement creates a tri-substituted aromatic ring with specific electronic and steric properties dictated by the relative positions of the electron-withdrawing nitro and fluoro groups and the electron-donating ethyl group.

The molecular formula is C₈H₈FNO₂ with a molecular weight of approximately 169.15 g/mol. The compound belongs to the broader class of fluoronitrobenzene derivatives, which are valued in synthetic chemistry for the electrophilic and nucleophilic reactivity imparted by their substituents. Researchers should confirm the CAS number and spectral data (¹H NMR, ¹³C NMR, GC purity) against the certificate of analysis (CoA) provided with each lot.

Physicochemical Properties and Stability

As a member of the nitrobenzene family, 2-Ethyl-4-fluoro-1-nitrobenzene is expected to be a low-viscosity liquid at room temperature with limited water solubility, and good miscibility with common organic solvents such as dichloromethane, ethyl acetate, acetone, and diethyl ether. The precise boiling point, melting point, density, and refractive index should be verified from the supplier's CoA or validated literature sources, as these values are not specified in the current source material.

The compound is stable under normal laboratory storage conditions when kept away from strong reducing agents, strong bases, and open flames. The nitro group renders it susceptible to reduction (e.g., catalytic hydrogenation or chemical reduction with iron/acetic acid) to afford the corresponding aniline derivative, which is a common transformation exploited in medicinal chemistry. The C–F bond is robust under most conditions but can participate in nucleophilic aromatic substitution (SNAr) when activated by the adjacent electron-withdrawing nitro group.

Safe Handling, Storage, and Disposal

Personal Protective Equipment (PPE): Always wear appropriate PPE including chemically resistant gloves (nitrile or neoprene), safety goggles, and a laboratory coat when handling 2-Ethyl-4-fluoro-1-nitrobenzene. Work in a well-ventilated fume hood to minimize inhalation exposure to vapors.

Storage: Store in a tightly sealed container in a cool, dry, well-ventilated area away from heat sources, ignition sources, and incompatible materials (strong oxidizers, strong reducing agents, strong bases). Recommended storage temperature is typically room temperature or as specified on the product label and CoA. Keep container upright to prevent leakage.

Spill Response: In the event of a spill, evacuate non-essential personnel, ventilate the area, and contain the spill with inert absorbent material (e.g., vermiculite or dry sand). Dispose of all contaminated material according to local, regional, and national regulations governing aromatic nitro compounds.

Disposal: Do not pour down the drain. Segregate waste in appropriate, labeled containers and arrange for disposal through a licensed hazardous waste contractor in compliance with applicable environmental regulations. Consult the Safety Data Sheet (SDS) for complete hazard information before use.

Synthetic Applications and Reactivity

2-Ethyl-4-fluoro-1-nitrobenzene serves as a multifunctional building block in organic synthesis. Key transformations include:

• Nitro group reduction: Catalytic hydrogenation (H₂/Pd-C) or chemical reduction converts the nitro group to a primary amine, yielding 2-ethyl-4-fluoroaniline, a versatile intermediate for the synthesis of dyes, pharmaceuticals, and agrochemicals.
• Nucleophilic Aromatic Substitution (SNAr): The fluorine atom at the 4-position is activated toward SNAr by the ortho/para electron-withdrawing nitro group at the 1-position. This allows displacement of fluorine by nucleophiles such as amines, alkoxides, and thiolates under mild to moderate conditions, enabling rapid library synthesis of diversified aryl ethers, aryl amines, and aryl thioethers.
• Cross-coupling reactions: After selective functional group manipulation (e.g., conversion of –NO2 to –NH2 or –halide), the compound can serve as a substrate or partner in palladium-catalyzed Suzuki, Buchwald-Hartwig, or Ullmann-type coupling reactions to access complex biaryl or arylamine frameworks.

These attributes make 2-Ethyl-4-fluoro-1-nitrobenzene a valuable intermediate in medicinal chemistry lead optimization and in the preparation of fluorinated bioactive molecules.

Quality, Specifications, and Ordering

Aladdin Scientific offers 2-Ethyl-4-fluoro-1-nitrobenzene under SKU E730009. Each lot is accompanied by a Certificate of Analysis (CoA) detailing purity (typically assessed by GC), appearance, and relevant physicochemical data. Researchers are encouraged to request the CoA and the Safety Data Sheet (SDS) prior to use to confirm that the material meets the requirements of their specific application.

For procurement inquiries, bulk pricing, custom packaging, or technical support, please contact Aladdin Scientific's customer service team. When placing orders, reference SKU E730009 to ensure accurate fulfillment. Storage and handling conditions specified on the product label and CoA should be observed from the point of receipt to maintain compound integrity throughout its shelf life.