1. Basic Information
· CAS Number: 1352909-30-8
· Molecular Formula: C₈H₆BrFO
· Molecular Weight: 217.04 g/mol
2. Chemical Structure and Properties
· Structural Formula: ```
O
║
Br-C-C-(benzene ring)-F
│ H
```
Specifically, it is a benzene ring, with a fluorine (F) atom substituting at the para (4th) position, and a carbonyl group (C=O) connected at the 1st position. The carbon atom of the carbonyl group is connected to a bromomethyl group (-CH₂Br).
· Appearance: Usually a white to off-white crystalline powder.
· Melting point: Approximately 100-102 °C.
· Solubility: Easily soluble in organic solvents such as dichloromethane, chloroform, ethyl acetate, acetone, acetonitrile, etc. The solubility in water is relatively low.
3. Main Uses
This compound is an important organic synthetic intermediate and chemical building block.
· Pharmaceutical intermediates: In drug research and synthesis, they are used to construct more complex molecular structures. The bromine atoms in their structures are highly reactive and can easily be replaced by nucleophilic reagents (such as amines, thioalcohols), thereby connecting other pharmacological groups. The benzene rings containing fluorine atoms are common in drug molecules because the introduction of fluorine can alter the metabolic stability, lipid solubility, and biological activity of the molecules.
· Materials science: They can be used to synthesize organic materials or liquid crystal materials with special functions.
· Chemical research: As reagents for basic research, they are used to explore new organic reactions and methodologies.
4. Safety Information (Extremely Important)
2-Bromo-1-(4-fluorophenyl)ethan-1-one belongs to the category of α-halo ketones. These substances usually have strong tear-inducing and skin irritant properties.
· Hazard:
· Highly irritating to the eyes, skin and respiratory system. Even a small amount of contact can cause intense tearing, sneezing and throat discomfort.
· May lead to skin allergies.
· Operating requirements:
· The operation must be carried out in a well-ventilated fume hood.
· Operators must wear appropriate personal protective equipment, including but not limited to: chemical protective gloves, splash-proof goggles, gas masks (for organic vapors) and laboratory coats.
· Avoid inhaling its dust or vapors.
· Storage: It should be stored in a sealed container in a cool, dry and well-ventilated place, and kept away from incompatible substances.