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

CAS 2092607-78-6Formula C9H6F4O3MW 238.14PubChem 131330565

This compound is a fluorinated and methoxylated benzoic acid derivative, featuring a trifluoromethyl group. It serves as a versatile functionalized intermediate in organic synthesis, particularly for developing novel compounds in medicinal chemistry and agrochemical research.

Loading RDKit molecule structure...
InChIKey: RBNHMGFQUSWVEP-UHFFFAOYSA-NC9H6F4O3 | MW 238.14

Chemical Identity

Molecular Formula

C9H6F4O3

Molecular Weight

238.14 g/mol

Exact Mass

238.025307

PubChem CID

131330565

SMILES String

COc1cc(C(=O)O)cc(C(F)(F)F)c1F

Names & Synonyms

H79175
External Identifiers
MFCD34766109

Catalog Overview

4-Fluoro-3-methoxy-5-(trifluoromethyl)benzoic acid is an organic compound characterized by a benzoic acid core substituted with a fluorine atom, a methoxy group, and a trifluoromethyl group. Its unique combination of electron-withdrawing (fluorine, trifluoromethyl) and electron-donating (methoxy) substituents makes it a valuable building block for synthesizing complex molecules. Researchers utilize this compound as a key intermediate in the development of pharmaceuticals, agrochemicals, and specialty materials, where the precise introduction of fluorinated and methoxylated aromatic systems is crucial for modulating physicochemical...

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Read more catalog context

4-Fluoro-3-methoxy-5-(trifluoromethyl)benzoic acid is an organic compound characterized by a benzoic acid core substituted with a fluorine atom, a methoxy group, and a trifluoromethyl group. Its unique combination of electron-withdrawing (fluorine, trifluoromethyl) and electron-donating (methoxy) substituents makes it a valuable building block for synthesizing complex molecules. Researchers utilize this compound as a key intermediate in the development of pharmaceuticals, agrochemicals, and specialty materials, where the precise introduction of fluorinated and methoxylated aromatic systems is crucial for modulating physicochemical properties and biological activity.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

145.0 °C

Boiling Point

280.0 °C

Density

1.45 g/cm³

Water Solubility

Slightly soluble

Flash Point

170.0 °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 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 detailed hazard information and safe handling procedures.

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