Chemical Formula | C8H6FN |
Molecular Weight | 135.14 |
Appearance | Colorless to light yellow liquid |
Boiling Point | 196 - 198 °C |
Density | 1.128 g/cm³ |
Solubility In Water | Insoluble |
Solubility In Organic Solvents | Soluble in common organic solvents like ethanol, ether |
Flash Point | 78 °C |
Refractive Index | 1.525 - 1.527 |
Name | Ortho - Fluorobenzyl cyanide |
Chemical Formula | C8H6FN |
Molecular Weight | 135.14 g/mol |
Appearance | Colorless to light yellow liquid |
Boiling Point | 212 - 213 °C |
Density | 1.125 g/cm³ (approximate) |
Solubility In Water | Insoluble |
Solubility In Organic Solvents | Soluble in common organic solvents like ethanol, ether |
Flash Point | 85 °C (approximate) |
Odor | Characteristic, pungent odor |
Cas Number | 446 - 52 - 6 |
What are the main uses of Ortho-Fluorobenzyl cyanide?
Ortho - Fluorobenzyl cyanide is an important chemical substance in the field of organic synthesis and has a wide range of uses.
First, it is often used as a key intermediate in the synthesis of medicine. Due to the unique electronic effect and biological activity of fluorine atoms, the introduction of fluorine-containing groups can significantly improve the physical, chemical and biological properties of drug molecules. After a series of chemical reactions, o-fluorobenzyl cyanide can be converted into compounds with specific pharmacological activities for the development of antibacterial, antiviral, antitumor and other drugs. For example, in the creation of some new anti-tumor drugs, o-fluorobenzyl cyanide is used as a starting material to participate in a multi-step reaction, and the molecular structure is carefully constructed to give the drug better targeting and efficacy.
Second, it also plays an important role in the field of pesticide synthesis. Fluorinated pesticides have many advantages such as high efficiency, low toxicity, and low residue. O-fluorobenzyl cyanide can be chemically modified to synthesize pesticides that target specific pests or weeds. For example, it is used to synthesize specific insecticides, which can precisely act on the nervous system or physiological metabolic pathways of pests, achieve the purpose of efficient insect removal, and have little harm to the environment, meeting the needs of the current development of green agriculture.
Third, in the field of materials science, o-fluorobenzyl cyanide also has applications. It can be used as a raw material for the synthesis of special functional materials, such as polymer materials with special optical and electrical properties. After polymerization, its structural units are introduced into the polymer chain, giving the material unique properties, which can be applied to optoelectronic devices, sensors and other fields to promote the development and innovation of related technologies.
What are the physical properties of Ortho-Fluorobenzyl cyanide?
O-fluorobenzyl cyanide (Ortho - Fluorobenzyl cyanide) is one of the organic compounds. Its physical properties are worth exploring.
Looking at its appearance, it is often a colorless to light yellow liquid, clear and with a specific color, and its unique appearance can be seen under ordinary light. Its smell may be slightly irritating, but it also has a unique smell, and one of its chemical characteristics can be felt when smelled.
When it comes to the boiling point, o-fluorobenzyl cyanide is about a specific temperature range, and the maintenance of this temperature depends on the strength of its intermolecular forces. Its molecular structure results in a certain interaction between molecules. When the outside world provides enough energy to overcome this interaction, the molecules can break free and change from liquid to gaseous state, resulting in a boiling point.
Melting point is also an important physical property. At this temperature, the thermal movement of o-fluorobenzyl cyanide molecules is suppressed, the arrangement tends to be orderly, and the substance solidifies from liquid to solid. Its melting point reflects the difficulty of molecular crystallization and the stability of crystal structure.
As for density, o-fluorobenzyl cyanide may have a specific specific gravity compared to water. This property determines its stratification when mixed with other liquids. If the density is greater than water, it will sink underwater; otherwise, it will float on water.
In terms of solubility, o-fluorobenzyl cyanide may have a certain solubility in organic solvents, such as common ethanol, ether, etc. This is due to the principle of similarity and miscibility, and its organic molecular structure is similar to that of organic solvents, so it can be miscible with each other; in water, its solubility or limited, due to its hydrophobic structural characteristics.
The physical properties of this compound are determined by its molecular structure. The relationship between structure and properties is the essence of chemical research and the basis for the application of o-fluorobenzyl cyanide in various fields.
What are the chemical properties of Ortho-Fluorobenzyl cyanide?
Fluorobenzyl cyanide is also an organic compound. It has unique chemical properties and is related to organic synthesis and reactivity.
In terms of its chemical activity, the cyanyl group (-CN) is a strong electron-absorbing group, and the ortho-fluorine atom also has an electron-absorbing effect. The synergy between the two makes the molecular electron cloud distribution different. This electronic effect reduces the electron cloud density of the benzene ring, which is more inert than benzene in the electrophilic substitution reaction. However, in the case of nucleophiles, the cyanyl group can exhibit high reactivity and is prone to nucleophilic addition or substitution reactions. For example, under appropriate conditions, the cyanyl group can be hydrolyzed to a carboxyl group (-COOH), or converted into an ester group (-COOR) through a specific reaction with alcohols.
Its physical properties cannot be ignored. Ortho-Fluorobenzyl cyanide is mostly liquid at room temperature, has a certain volatility, and is soluble in common organic solvents, such as ethanol, ether, dichloromethane, etc. This property is convenient for it to be used as a reaction medium or a solute participating in the reaction in the experimental operation of organic synthesis.
Furthermore, from a structural point of view, fluorine atoms and cyanyl groups are in ortho-positions, and the steric resistance effect affects the intermolecular force. This not only affects its physical state, but also changes the reaction path and rate during chemical reactions. For example, in some reactions that require specific spatial orientation, the steric resistance of ortho-substituents may make the reaction require higher energy to overcome obstacles, which in turn affects the reaction conditions and product selectivity.
In conclusion, ortho-Fluorobenzyl cyanide has unique chemical properties due to the presence of cyanyl and ortho-fluorine atoms, and is of great value in the field of organic synthesis. However, its reaction characteristics require chemists to carefully control the reaction conditions in order to achieve the desired synthesis target.
What are the synthesis methods of Ortho-Fluorobenzyl cyanide?
The methods for preparing o-fluorobenzyl cyanide are many different. The common ones are those that use o-fluorotoluene as the starting material. First, o-fluorotoluene is reacted with a halogenating agent such as N-bromosuccinimide (NBS) with the help of light or an initiator to obtain o-fluorobenzyl halide. In this step, the benzyl hydrogen of the light or initiator promoting toluene is replaced by a halogen atom to generate halides such as o-fluorobenzyl bromide.
Then, a cyanizing agent, such as sodium cyanide (NaCN) or potassium cyanide (KCN), is reacted with o-fluorobenzyl halide in a suitable solvent. Polar aprotic solvents such as dimethyl formamide (DMF) and dimethyl sulfoxide (DMSO) are often selected for this solvent. During the reaction, the cyanide anion attacks the carbon-halogen bond of the benzyl halide, and the halogen atom leaves, then the o-fluorobenzyl cyanide is obtained. This process requires attention to the toxicity of cyanide, and the operation must be cautious. It should be carried out in good ventilation, and safety procedures should be strictly followed.
Another method is to use o-fluorobenzaldehyde as the starting material. First, the o-fluorobenzaldehyde is reacted with hydroxylamine hydrochloride to form an oxime. Under the action of dehydrating agent, oxime can be converted into o-fluorobenzonitrile. Dehydrating agent is often selected such as acetic anhydride, etc. This method is a little complicated, but it is also a feasible method. Preparation of o-fluorobenzyl cyanide depends on factors such as raw material availability, cost, safety, etc.
What are the precautions for Ortho-Fluorobenzyl cyanide in storage and transportation?
When storing and transporting this substance, all kinds of precautions are essential.
First of all, storage should be placed in a cool, dry and well-ventilated place. Cover because of its unique nature, if it is in a warm and humid place, it may cause qualitative change. For example, heat can accelerate its chemical reaction, humid gas or cause its hydrolysis and other changes, so it is necessary to choose a dry and cool place with smooth air to hide. And it must be kept away from fire and heat sources, both of which can cause dangerous reactions, such as combustion and explosion. The heat of the fire and the temperature of the heat source can trigger its internal instability factors and cause harm.
As for transportation, it is necessary to ensure that the container is completely sealed. If the container is slightly damaged, n-fluorobenzyl cyanide will escape, which will not only contaminate the surrounding environment, but also pose a threat to the safety of the transportation personnel. During transportation, severe vibration and collision should also be avoided, which can damage the container, and the vibration collision or stimulate its internal structure changes, which will induce danger. At the same time, the transportation personnel must be familiar with its dangerous characteristics and emergency treatment methods. In case of any accident, they can respond quickly and reduce the damage.
Furthermore, in the storage and transportation place, appropriate fire fighting equipment and leakage emergency treatment equipment should be prepared. In the event of a leak, it can be plugged, adsorbed, and neutralized in time to prevent the spread of harm. Overall, the storage and transportation of n-fluorobenzyl cyanide is related to safety and quality, and all things must be done with caution and without slack.