Description

2-Fluoro-4-(trans-4-((E)-prop-1-en-1-yl)cyclohexyl)benzonitrile (CAS No. 157453-54-8) is a high-purity fluorinated benzonitrile derivative with a molecular formula of C₁₆H₁₈FN. This specialized organic compound features a trans-4-prop-1-enylcyclohexyl group attached to a 2-fluoro-4-cyanophenyl moiety, making it a valuable intermediate for advanced synthetic applications. With a molecular weight of 243.32 g/mol, this compound is characterized by its unique structural properties, including the presence of both a fluorine atom and a nitrile group, which enhance its reactivity and utility in organic synthesis. Suitable for researchers and scientists, this product is rigorously tested to ensure >95% purity (HPLC) and is supplied in sealed containers under inert conditions to maintain stability. Ideal for use in pharmaceutical research, liquid crystal development, and materials science.

Properties

• CAS Number: 157453-54-8
• Complexity: 332
• IUPAC Name: 2-fluoro-4-(4-prop-1-enylcyclohexyl)benzonitrile
• InChI: InChI=1S/C16H18FN/c1-2-3-12-4-6-13(7-5-12)14-8-9-15(11-18)16(17)10-14/h2-3,8-10,12-13H,4-7H2,1H3
• InChI Key: HGEBHFPUCKXFHW-UHFFFAOYSA-N
• Exact Mass: 243.142327740
• Molecular Formula: C16H18FN
• Molecular Weight: 243.32
• SMILES: CC=CC1CCC(CC1)C2=CC(=C(C=C2)C#N)F
• Topological: 23.8
• Monoisotopic Mass: 243.142327740
• Synonyms: PecHFCP, SCHEMBL10616067, SCHEMBL10616074, 2-fluoro-4-(4-(prop-1-enyl)cyclohexyl)benzonitrile, 2-Fluoro-4-(trans-4-((E)-prop-1-en-1-yl)cyclohexyl)benzonitrile, 157453-54-8

Application

2-Fluoro-4-(trans-4-((E)-prop-1-en-1-yl)cyclohexyl)benzonitrile is primarily utilized as a key intermediate in the synthesis of liquid crystal materials, particularly for advanced display technologies. Its fluorinated aromatic core and rigid cyclohexyl structure contribute to the modulation of mesomorphic properties in liquid crystal formulations. Additionally, this compound serves as a versatile building block in medicinal chemistry for the development of fluorinated drug candidates. Researchers also employ it in materials science for the design of organic semiconductors and optoelectronic devices.

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