Description

Pentacyclo[4.2.0.02,5.03,8.04,7]Octanecarbonitrile, 4-Fluoro- (9Ci) is a highly specialized, fluorinated polycyclic nitrile compound characterized by its unique caged molecular architecture. This compound serves as a critical advanced intermediate in the synthesis of complex organic molecules, particularly in pharmaceutical and agrochemical research where its rigid, three-dimensional structure is leveraged to modulate biological activity and physicochemical properties. It is primarily sought after by R&D chemists and process development scientists in fine chemical, pharmaceutical, and advanced material sectors for constructing novel molecular scaffolds.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel active pharmaceutical ingredients (APIs), especially those targeting central nervous system (CNS) disorders or requiring fluorinated motifs for enhanced metabolic stability and bioavailability.
• Agrochemical Research: Used in developing new generations of herbicides, fungicides, and insecticides, where the fluorinated polycyclic core can contribute to unique modes of action and environmental persistence profiles.
• Material Science Precursor: Serves as a monomer or cross-linking agent in the development of specialty polymers and high-performance resins with tailored thermal and mechanical properties.
• Ligand Synthesis in Catalysis: Employed for constructing sophisticated, sterically demanding ligands used in asymmetric catalysis and transition metal complexes.
• Academic & Discovery Chemistry: A valuable reagent for methodological studies and exploring new chemical space in synthetic organic chemistry laboratories.

Basic Information

Item	Details
Product Name	Pentacyclo[4.2.0.02,5.03,8.04,7]Octanecarbonitrile, 4-Fluoro- (9Ci)
CAS No.	167496-76-6
Molecular Formula	C9H6FN
Molecular Weight	147.15 g/mol
Synonyms	4-Fluoropentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carbonitrile; 4-Fluorotetracyclo[3.3.0.02,8.04,6]octane-1-carbonitrile (related structural name); 1-Cyano-4-fluoropentacyclo[4.2.0.02,5.03,8.04,7]octane; Fluorinated cubane nitrile derivative; 4-Fluoro-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane (incorrect but common search variant); FCON (abbreviation); 167496-76-6 (CAS-based identifier)
EINECS	Contact for details

Quality Control

Our production of Pentacyclo[4.2.0.02,5.03,8.04,7]Octanecarbonitrile, 4-Fluoro- (9Ci) adheres to stringent quality management protocols. Every batch undergoes comprehensive analytical testing, including HPLC for purity and NMR/IR for structural confirmation, to ensure it meets the exacting standards required for research and development applications. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting all critical quality attributes.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). The product is light-sensitive and should be handled under appropriate conditions to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.