MolGraphChemical Intelligence
Active Chemical RecordCatalog PreviewCatalog ready

4-Fluoro-3-formyl-5-(trifluoromethyl)benzoic acid

CAS 2387319-56-2Formula C9H4F4O3MW 236.12PubChem 171022235

4-Fluoro-3-formyl-5-(trifluoromethyl)benzoic acid is a fluorinated benzoic acid derivative containing an aldehyde and a trifluoromethyl group. This functionalized intermediate is valuable in organic synthesis, particularly for creating complex fluorinated molecules for research applications.

Loading RDKit molecule structure...
InChIKey: ZQEXRIMNOTZLCU-UHFFFAOYSA-NC9H4F4O3 | MW 236.12

Chemical Identity

Molecular Formula

C9H4F4O3

Molecular Weight

236.12 g/mol

Exact Mass

236.009657

PubChem CID

171022235

SMILES String

O=Cc1cc(C(=O)O)cc(C(F)(F)F)c1F

Names & Synonyms

H79174
External Identifiers
MFCD34766091

Catalog Overview

4-Fluoro-3-formyl-5-(trifluoromethyl)benzoic acid is a highly functionalized organic compound featuring a benzoic acid core substituted with a fluorine atom, a formyl (aldehyde) group, and a trifluoromethyl group. This unique combination of functional groups makes it a versatile building block in complex organic synthesis. The presence of fluorine and trifluoromethyl groups can impart specific electronic properties and metabolic stability, while the formyl and carboxylic acid groups offer multiple sites for further chemical transformations. It is intended for Research Use Only (RUO).

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 to off-white crystalline powder

Physical State

Solid

Melting Point

165.0 °C

Boiling Point

320.0 °C

Density

1.5 g/cm³

Water Solubility

Slightly soluble

Flash Point

195.0 °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 4-Fluoro-3-formyl-5-(trifluoromethyl)benzoic acid with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or a chemical fume hood to avoid inhalation. Prevent skin and eye contact, and do not ingest. Always refer to the Safety Data Sheet (SDS) for comprehensive safety information and proper disposal procedures.

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.