Description

Benzeneacetonitrile, 3-Fluoro-5-Methyl- (9Ci) is a high-value fluorinated aromatic nitrile building block, essential for advanced organic synthesis. Its core value lies in enabling the precise introduction of both cyano and fluoro-methyl substituted phenyl motifs into complex molecular architectures. This compound is critically needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and intermediates.

Application

• Pharmaceutical Intermediate: A key synthon for the development of active pharmaceutical ingredients (APIs), particularly in kinase inhibitor and CNS drug discovery programs.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides and pesticides, where the fluorine atom enhances biological activity and metabolic stability.
• Ligand and Catalyst Development: Serves as a precursor for specialized ligands in transition metal catalysis and organocatalysis.
• Material Science Research: Employed in the synthesis of monomers for specialty polymers, liquid crystals, and organic electronic materials.
• Fluorine Chemistry Studies: A valuable substrate for methodological development in fluorination and functional group transformation chemistry.
• Custom Synthesis and Contract Manufacturing: Supplied to CDMOs for the production of bespoke intermediates under cGMP or research-grade conditions.

Basic Information

Product Name	Benzeneacetonitrile, 3-Fluoro-5-Methyl- (9Ci)
CAS No.	518070-21-8
Molecular Formula	C9H8FN
Molecular Weight	149.17 g/mol
Synonyms	3-Fluoro-5-methylbenzyl cyanide; (3-Fluoro-5-methylphenyl)acetonitrile; 2-(3-Fluoro-5-methylphenyl)acetonitrile; 3-Fluoro-5-methylbenzeneacetonitrile; 3-Fluoro-5-methylphenylacetonitrile; α-Cyano-3-fluoro-5-methyltoluene; 3-Fluoro-5-methylbenzyl nitrile
EINECS	Contact for details

Quality Control

Our Benzeneacetonitrile, 3-Fluoro-5-Methyl- (9Ci) is produced under stringent quality management systems. Each batch undergoes comprehensive analytical characterization, including HPLC for purity, GC for residual solvents, and NMR/IR for structural confirmation, to ensure it meets the exacting standards required for research and development. Certificates of Analysis (COA) with full traceability are provided for every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Keep away from strong oxidizing agents, strong acids, and strong bases.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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