Description
trans-2,6-Difluoro-4-(4-vinyl-cyclohexyl)-benzonitrile (CAS No. 337366-98-0) is a high-purity fluorinated organic compound with the molecular formula C15H15F2N. This specialized chemical features a unique structural combination of a vinyl-substituted cyclohexyl ring and a difluorobenzonitrile moiety, making it a valuable intermediate for advanced synthetic applications. Its IUPAC name, 4-(4-ethenylcyclohexyl)-2,6-difluorobenzonitrile, reflects its precise molecular architecture. The compound is characterized by its high stability, low volatility, and compatibility with a range of reaction conditions, making it suitable for use in pharmaceuticals, liquid crystal materials, and agrochemical research. Available in >98% purity (HPLC), it is supplied in sealed amber vials under inert gas to ensure long-term stability.
Properties
- CAS Number: 337366-98-0
- Complexity: 326
- IUPAC Name: 2,6-difluoro-4-(4-vinylcyclohexyl)benzonitrile
- InChI: InChI=1S/C15H15F2N/c1-2-10-3-5-11(6-4-10)12-7-14(16)13(9-18)15(17)8-12/h2,7-8,10-11H,1,3-6H2
- InChI Key: RHKFLOBWOJNBQH-UHFFFAOYSA-N
- Exact Mass: 247.11725581
- Molecular Formula: C15H15F2N
- Molecular Weight: 247.28
- SMILES: C=CC1CCC(CC1)C2=CC(=C(C(=C2)F)C#N)F
- Topological: 23.8
- Monoisotopic Mass: 247.11725581
- Synonyms: 337366-98-0, TRANS-2,6-DIFLUORO-4-(4-VINYL-CYCLOHEXYL)-BENZONITRILE, 4-(4-ethenylcyclohexyl)-2,6-difluorobenzonitrile, 2,6-difluoro-4-(trans-4-vinylcyclohexyl)benzonitrile, 2,6-Difluoro-4-(4-Vinylcyclohexyl)Benzonitrile, VcHdFCP, SCHEMBL31135, SCHEMBL6550914, DTXSID70467308, RHKFLOBWOJNBQH-UHFFFAOYSA-N, RHKFLOBWOJNBQH-XYPYZODXSA-N, DB-299312
Application
This compound serves as a key intermediate in the synthesis of liquid crystal materials for display technologies due to its rigid cyclohexyl core and polar nitrile group. It is also utilized in pharmaceutical research for the development of fluorinated bioactive molecules, leveraging its electron-withdrawing difluoro and nitrile substituents. Additionally, its vinyl group enables further functionalization via polymerization or cross-coupling reactions for advanced material science applications.
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