Description

2'-Cyano-2,2,2-Trifluoroacetophenone Monohydrate is a specialized trifluoromethylated aromatic ketone building block of significant interest in advanced organic synthesis. Its core value lies in the unique reactivity profile conferred by the combined electron-withdrawing cyano and trifluoromethyl groups, making it a critical precursor for constructing complex heterocyclic and pharmaceutical intermediates. This compound is primarily needed by research and development chemists, process development scientists, and manufacturers in the pharmaceutical, agrochemical, and material science industries.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of active pharmaceutical ingredients (APIs), particularly those containing trifluoromethylpyridine or other fluorinated heterocycles.
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides where the trifluoromethyl group enhances biological activity and metabolic stability.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands used in asymmetric catalysis and transition metal complexes.
• Material Science Research: Employed in the synthesis of advanced organic materials, including liquid crystals and polymers with specific electronic properties.
• Chemical Research & Development: A versatile building block for exploring new reactions and methodologies in fluoroorganic chemistry.
• Custom Synthesis: Used by contract research and manufacturing organizations (CROs/CMOs) for client-specific projects requiring fluorinated aromatic ketones.

Basic Information

Product Name	2'-Cyano-2,2,2-Trifluoroacetophenone Monohydrate
CAS No.	898787-09-2
Molecular Formula	C9H6F3NO • H2O
Molecular Weight	217.15 g/mol (Monohydrate)
Synonyms	2,2,2-Trifluoro-1-(2-cyanophenyl)ethanone Monohydrate; 1-(2-Cyanophenyl)-2,2,2-trifluoroethanone Monohydrate; α,α,α-Trifluoro-2'-cyanoacetophenone Monohydrate; 2-Cyanophenyl Trifluoromethyl Ketone Monohydrate; 2-Cyanobenzoyltrifluoromethane Monohydrate; (2-Cyanophenyl)(trifluoromethyl)methanone Monohydrate; 2'-Cyano-α,α,α-trifluoroacetophenone Monohydrate
EINECS	Contact for details

Quality Control

Our 2'-Cyano-2,2,2-Trifluoroacetophenone Monohydrate is produced under a strict quality management system. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and Karl Fischer titration, to ensure identity, purity, and conformity to specifications. Certificates of Analysis (COA) documenting all critical quality attributes are available upon request. We are committed to supplying material that meets the high standards required for research and scale-up activities.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed after opening to minimize exposure to atmospheric moisture. Keep away from incompatible materials such as strong bases and reducing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Water Content (KF)	Theoretical (Monohydrate) or as per COA
Related Substances (HPLC)	Total impurities ≤ 2.0%
Residual Solvents (GC)	Meets ICH guidelines

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