MolGraphChemical Intelligence
Active Chemical RecordCatalog PreviewCatalog ready

3-Cyano-2-fluoro-4-(trifluoromethyl)benzoic acid

CAS 1807246-47-4Formula C9H3F4NO2MW 233.12PubChem 131531781

3-Cyano-2-fluoro-4-(trifluoromethyl)benzoic acid is a functionalized benzoic acid derivative containing cyano, fluoro, and trifluoromethyl groups. It is primarily used as a building block in organic synthesis, particularly for creating more complex molecules in pharmaceutical and agrochemical research.

Loading RDKit molecule structure...
InChIKey: ODGMHCKYKMZSJL-UHFFFAOYSA-NC9H3F4NO2 | MW 233.12

Chemical Identity

Molecular Formula

C9H3F4NO2

Molecular Weight

233.12 g/mol

Exact Mass

233.009991

PubChem CID

131531781

SMILES String

N#Cc1c(C(F)(F)F)ccc(C(=O)O)c1F

Names & Synonyms

3-CYANO-2-FLUORO-4-(TRIFLUOROMETHYL)BENZOICACID

Catalog Overview

3-Cyano-2-fluoro-4-(trifluoromethyl)benzoic acid (CAS 1807246-47-4) is an aromatic carboxylic acid featuring a trifluoromethyl group, a cyano group, and a fluorine atom on the benzene ring. With a molecular formula of C9H3F4NO2 and a molecular weight of 233.12 g/mol, this compound serves as a versatile functionalized intermediate. Its distinct array of electron-withdrawing groups makes it a valuable reagent for various synthetic transformations, including Suzuki-Miyaura couplings, amide formations, and esterifications, especially in the development of novel compounds for life science research.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline powder

Physical State

Solid

Melting Point

175.0 °C

Boiling Point

380.0 °C

Density

1.5 g/cm³

Water Solubility

Slightly soluble

Flash Point

220.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before use.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Related products and analog discovery will be available as catalog graph data is expanded.