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Atomfair trans-4-Cyano-3,5-difluorophenyl 4-propylcyclohexanecarboxylate C17H19F2NO2 CAS 170447-78-6

trans-4-Cyano-3,5-difluorophenyl 4-propylcyclohexanecarboxylate (CAS No. 170447-78-6) is a high-purity, synthetic organic compound with the molecular formula C17H19F2NO2. This fluorinated cyclohexane derivative features a cyano group and a propylcyclohexane carboxylate moiety, making it a valuable intermediate for advanced chemical synthesis and materials research. Its trans-configuration ensures consistent stereochemical properties, critical for applications requiring precise molecular geometry. Ideal for researchers in liquid crystal development, pharmaceutical chemistry, and specialty materials, this compound is supplied with comprehensive analytical data (HPLC, GC-MS, NMR) to guarantee purity and reproducibility. Store in a cool, dry place under inert conditions to maintain stability.

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Description

trans-4-Cyano-3,5-difluorophenyl 4-propylcyclohexanecarboxylate (CAS No. 170447-78-6) is a high-purity, synthetic organic compound with the molecular formula C17H19F2NO2. This fluorinated cyclohexane derivative features a cyano group and a propylcyclohexane carboxylate moiety, making it a valuable intermediate for advanced chemical synthesis and materials research. Its trans-configuration ensures consistent stereochemical properties, critical for applications requiring precise molecular geometry. Ideal for researchers in liquid crystal development, pharmaceutical chemistry, and specialty materials, this compound is supplied with comprehensive analytical data (HPLC, GC-MS, NMR) to guarantee purity and reproducibility. Store in a cool, dry place under inert conditions to maintain stability.

Properties

  • CAS Number: 170447-78-6
  • Complexity: 414
  • IUPAC Name: (4-cyano-3,5-difluoro-phenyl) 4-propylcyclohexanecarboxylate
  • InChI: InChI=1S/C17H19F2NO2/c1-2-3-11-4-6-12(7-5-11)17(21)22-13-8-15(18)14(10-20)16(19)9-13/h8-9,11-12H,2-7H2,1H3
  • InChI Key: GCEMHNPUXQDXIX-UHFFFAOYSA-N
  • Exact Mass: 307.13838517
  • Molecular Formula: C17H19F2NO2
  • Molecular Weight: 307.33
  • SMILES: CCCC1CCC(CC1)C(=O)OC2=CC(=C(C(=C2)F)C#N)F
  • Topological: 50.1
  • Monoisotopic Mass: 307.13838517
  • Synonyms: 170447-78-6, trans-4-Cyano-3,5-difluorophenyl 4-propylcyclohexanecarboxylate, 4-Cyano-3,5-difluorophenyl 4-propylcyclohexane-1-carboxylate, (4-cyano-3,5-difluorophenyl) 4-propylcyclohexane-1-carboxylate, GCEMHNPUXQDXIX-UHFFFAOYSA-N, 3cHCaAdFCP, SCHEMBL6320835, DTXSID90609627, DB-321774, CS-0447995, 4-cyano-3,5-difluorophenyl 4-propylcyclohexanecarboxylate, (4-Cyano-3,5-Difluoro-Phenyl) 4-Propylcyclohexane-1-Carboxylate, TRANS-4-CYANO-3,5-DIFLUOROPHENYL4-PROPYLCYCLOHEXANECARBOXYLATE, 4-CYANO-3,5-DIFLUOROPHENYL (1S,4R)-4-PROPYLCYCLOHEXANE-1-CARBOXYLATE

Application

This compound is primarily used as a key intermediate in the synthesis of advanced liquid crystal materials for display technologies, owing to its stable trans-cyclohexane core and fluorinated aromatic system. It also serves as a building block in pharmaceutical research for designing bioactive molecules with enhanced lipophilicity and metabolic stability. Researchers leverage its cyano and carboxylate functionalities for further derivatization in polymer and materials science applications.

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

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  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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