Description
trans-3,4-Difluorophenyl 4-propylcyclohexanecarboxylate (CAS No. 94737-80-1) is a high-purity fluorinated organic compound with the molecular formula C16H20F2O2. This ester derivative features a trans-configuration of the 4-propylcyclohexane carboxylate moiety, offering unique steric and electronic properties for advanced chemical synthesis and material science applications. Its IUPAC name is (3,4-difluorophenyl) 4-propylcyclohexane-1-carboxylate, and it is characterized by its high thermal stability and low volatility, making it suitable for high-performance liquid crystal formulations and specialty polymer additives. Available in >98% purity (HPLC), this compound is rigorously tested for consistency and quality, ensuring reliable performance in research and industrial settings. Packaged under inert gas to prevent degradation, it is ideal for use in electro-optical materials, pharmaceutical intermediates, and advanced organic synthesis.
Properties
- CAS Number: 94737-80-1
- Complexity: 314
- IUPAC Name: (3,4-difluorophenyl) 4-propylcyclohexanecarboxylate
- InChI: InChI=1S/C16H20F2O2/c1-2-3-11-4-6-12(7-5-11)16(19)20-13-8-9-14(17)15(18)10-13/h8-12H,2-7H2,1H3
- InChI Key: AZDMLUOTPZUHIA-UHFFFAOYSA-N
- Exact Mass: 282.14313620
- Molecular Formula: C16H20F2O2
- Molecular Weight: 282.32
- SMILES: CCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)F)F
- Topological: 26.3
- Monoisotopic Mass: 282.14313620
- Synonyms: 94737-80-1, trans-3,4-Difluorophenyl 4-propylcyclohexanecarboxylate, (3,4-difluorophenyl) 4-propylcyclohexane-1-carboxylate, 3,4-DIFLUOROPHENYL (1S,4R)-4-PROPYLCYCLOHEXANE-1-CARBOXYLATE, 3cHCaAdFP, DTXSID20679479, AZDMLUOTPZUHIA-UHFFFAOYSA-N, DB-321764, 3,4-difluorophenyl 4-propylcyclohexanecarboxylate, 3,4-Difluorophenyl 4-propylcyclohexane-1-carboxylate, TRANS-3,4-DIFLUOROPHENYL4-PROPYLCYCLOHEXANECARBOXYLATE
Application
trans-3,4-Difluorophenyl 4-propylcyclohexanecarboxylate is primarily used as a key intermediate in the synthesis of liquid crystal materials for display technologies, owing to its stable mesomorphic properties. It also serves as a building block in pharmaceutical research, particularly for fluorinated drug candidates targeting CNS disorders. Additionally, its rigid cyclohexane core and fluorinated aromatic ring make it a valuable monomer for high-performance polymers with enhanced thermal and chemical resistance.
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