1-chloro-3-(trifluoromethyl)-5-[1-(trifluoromethyl)ethenyl]-Benzene
[CAS# 928783-56-6]

Identification

• Classification: Organic raw materials >> Organic fluorine compound
• Name: 1-chloro-3-(trifluoromethyl)-5-[1-(trifluoromethyl)ethenyl]-Benzene
• Molecular Formula: C₁₀H₅ClF₆
• Molecular Weight: 274.59
• CAS Registry Number: 928783-56-6
• SMILES: C=C(C1=CC(=CC(=C1)Cl)C(F)(F)F)C(F)(F)F

Properties

• Solubility: Sparingly Soluble (4.1E^-4 g/L) (25 ºC), Calc.^*
• Density: 1.393±0.06 g/cm³ (20 ºC 760 Torr), Calc.^*
• Boiling point: 229.2±40.0 ºC (760 Torr), Calc.^*
• Flash point: 110.1±20.8 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2021 ACD/Labs)

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H315-H319-H335
• Precautionary Statements: P261-P305+351+338-P302+352

Discovory and Applicatios

1-Chloro-3-(trifluoromethyl)-5-[1-(trifluoromethyl)ethenyl]-benzene is an organic compound with significant industrial and chemical relevance. This compound is part of a broader class of aromatic fluorine-containing substances, which have unique properties due to the presence of both halogen atoms and functional groups on the benzene ring. The structure of 1-chloro-3-(trifluoromethyl)-5-[1-(trifluoromethyl)ethenyl]-benzene includes a chloro group, trifluoromethyl groups, and an ethenyl (vinyl) group, which contribute to its reactivity and diverse applications in the chemical industry.

The compound was developed and introduced as part of efforts to create more reactive intermediates for various chemical syntheses. The trifluoromethyl and ethenyl groups in its structure impart a combination of electronic properties that make it useful in multiple areas of organic chemistry. The presence of trifluoromethyl groups makes the compound highly hydrophobic and contributes to its stability under certain chemical conditions. These traits make it suitable for use in specialized polymerizations, fluorination reactions, and as a precursor for the synthesis of other more complex molecules.

One of the key applications of 1-chloro-3-(trifluoromethyl)-5-[1-(trifluoromethyl)ethenyl]-benzene lies in the production of high-performance materials, particularly in the electronics and coatings industries. The compound can be employed in the synthesis of fluorinated polymers and resins, which are known for their superior chemical resistance, thermal stability, and low friction properties. These materials are crucial in the manufacture of advanced electronic components, such as semiconductors, and in protective coatings that require resistance to harsh chemicals and extreme temperatures.

In addition to its use in material science, the compound plays a role as an intermediate in the synthesis of agrochemicals and pharmaceuticals. The trifluoromethyl and ethenyl substituents offer a degree of control over the compound's reactivity, allowing it to be utilized in the creation of molecules with specific biological or chemical properties. For instance, it can serve as a starting material for the development of herbicides, insecticides, and other pesticides, as well as in drug discovery, where the introduction of fluorine atoms can improve the bioavailability and stability of active pharmaceutical ingredients.

The synthesis of 1-chloro-3-(trifluoromethyl)-5-[1-(trifluoromethyl)ethenyl]-benzene typically involves methods of halogenation, addition reactions, and selective functional group transformations. The high reactivity of the trifluoromethyl and ethenyl groups allows for a range of modifications that can lead to the production of derivatives with even more specific applications in the chemical and pharmaceutical industries.

Despite its broad utility, the compound must be handled with care due to its chemical reactivity and potential environmental impacts. The production and use of fluorinated organic compounds require careful management of waste and by-products, particularly in terms of their persistence in the environment.

In conclusion, 1-chloro-3-(trifluoromethyl)-5-[1-(trifluoromethyl)ethenyl]-benzene is an important chemical intermediate with a range of applications in material science, agrochemicals, and pharmaceuticals. Its unique combination of functional groups allows for diverse uses in the synthesis of advanced materials and specialized chemicals. As research continues, it is likely that its potential will expand even further in various industrial and scientific fields.