Description

Benzene, 1-Fluoro-4-(Nitroethynyl)- (9Ci) is a specialized fluorinated aromatic building block containing a nitroethynyl functional group. This compound is valued for its unique reactivity profile, serving as a key intermediate in the synthesis of complex molecules for advanced research and development. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and materials science industries for constructing novel chemical entities.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel active pharmaceutical ingredients (APIs), particularly in medicinal chemistry programs targeting new therapeutic agents.
• Agrochemical Research: Used in the synthesis of advanced crop protection agents and herbicides, leveraging the reactivity of its functional groups.
• Materials Science Precursor: Serves as a building block for advanced organic electronic materials, nonlinear optical (NLO) materials, and specialty polymers.
• Chemical Biology Probe Development: Employed in the design and synthesis of molecular probes and tags for studying biological systems and mechanisms.
• Cross-Coupling Reactions: Acts as a substrate in various palladium-catalyzed cross-coupling reactions (e.g., Sonogashira, Suzuki) to create complex biaryl and conjugated systems.
• Ligand and Catalyst Synthesis: Useful for constructing novel ligands and organocatalysts used in asymmetric synthesis and catalysis research.

Basic Information

Product Name	Benzene, 1-Fluoro-4-(Nitroethynyl)- (9Ci)
CAS No.	474661-11-5
Molecular Formula	C8H4FNO2
Molecular Weight	165.12 g/mol
Synonyms	1-Fluoro-4-(nitroethynyl)benzene; 4-Fluoro-(nitroethynyl)benzene; p-Fluoro-(nitroethynyl)benzene; 1-Ethynyl-4-fluoro-2-nitrobenzene (isomer); 4-Ethynyl-1-fluoro-2-nitrobenzene (isomer); Nitroethynylfluorobenzene; (4-Fluorophenyl)(nitro)acetylene
EINECS	Contact for details

Quality Control

Our Benzene, 1-Fluoro-4-(Nitroethynyl)- (9Ci) is produced under strict quality management protocols to ensure batch-to-batch consistency and high purity for research applications. Each lot is characterized using advanced analytical techniques including NMR, HPLC, and GC-MS. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This material is light-sensitive (store away from light). Keep away from heat, sparks, and open flame. For long-term storage, consider storage under an inert atmosphere.

Specification

Item	Specification
Appearance	Yellow to light brown solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95%
Melting Point	Contact for details
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.