Description

3-Cyano-5-(Trifluoromethyl)Benzoic Acid is a high-value, multi-functional aromatic building block characterized by its benzoic acid core, cyano electron-withdrawing group, and trifluoromethyl moiety. This combination of functional groups makes it a critical intermediate for synthesizing advanced materials and active pharmaceutical ingredients (APIs) where enhanced lipophilicity, metabolic stability, and binding affinity are required. It is primarily utilized by research institutions and industrial manufacturers in the pharmaceutical, agrochemical, and specialty chemical sectors for developing novel compounds.

Application

• Pharmaceutical Intermediate: Key synthon for the development of small molecule drugs, particularly kinase inhibitors and receptor modulators.
• Agrochemical Synthesis: Used in creating advanced herbicides and fungicides that leverage the trifluoromethyl group for improved bioactivity and environmental profile.
• Liquid Crystal & OLED Materials: Serves as a precursor for electron-transport materials and polar components in electronic displays.
• Polymer Modification: Incorporated into polymer chains to impart specific chemical resistance, thermal stability, or surface properties.
• Organic Synthesis Building Block: Employed in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, to create complex biaryl structures.
• Coordination Chemistry Ligand: The carboxylic acid and cyano groups can act as binding sites for metal ions in catalyst design.

Basic Information

Product Name	3-Cyano-5-(Trifluoromethyl)Benzoic Acid
CAS No.	942077-16-9
Molecular Formula	C9H4F3NO2
Molecular Weight	215.13 g/mol
Synonyms	5-(Trifluoromethyl)isophthalonitrile-3-carboxylic acid; Benzoic acid, 3-cyano-5-(trifluoromethyl)-; 3-Carboxy-5-(trifluoromethyl)benzonitrile; 3-Cyano-5-trifluoromethylbenzoic acid; 942077-16-9; 3-CN-5-CF3-BA
EINECS	Contact for details

Quality Control

Every batch of 3-Cyano-5-(Trifluoromethyl)Benzoic Acid is manufactured under a cGMP-compliant quality management system and undergoes rigorous analytical testing to ensure identity, purity, and consistency. Our standard pharmaceutical-grade material typically meets a purity specification of ≥98.0% (by HPLC). A comprehensive Certificate of Analysis (COA) detailing assay, impurity profile, and physical characteristics is provided with each shipment and is available upon request.

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). This product is hygroscopic (moisture-sensitive) and should be handled under dry conditions to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0 %
Water Content (KF)	≤ 0.5 %
Residue on Ignition	≤ 0.1 %
Heavy Metals	≤ 10 ppm

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