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

CAS 2387276-54-0Formula C9H6F4O3MW 238.14PubChem 163353730

2-Fluoro-3-methoxy-5-(trifluoromethyl)benzoic acid is a fluorinated and methoxylated benzoic acid derivative featuring a trifluoromethyl group. It serves as a versatile building block in organic synthesis, particularly valuable for creating complex molecules in pharmaceutical and agrochemical research.

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

Chemical Identity

Molecular Formula

C9H6F4O3

Molecular Weight

238.14 g/mol

Exact Mass

238.025307

PubChem CID

163353730

SMILES String

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

Names & Synonyms

E96386
External Identifiers
MFCD32902898

Catalog Overview

2-Fluoro-3-methoxy-5-(trifluoromethyl)benzoic acid, identified by CAS number 2387276-54-0 and molecular formula C9H6F4O3, is a highly functionalized aromatic carboxylic acid. Its structure features a fluorine atom, a methoxy group, and a trifluoromethyl group attached to a benzoic acid core. This specific arrangement of substituents makes it a valuable intermediate in organic synthesis, enabling the introduction of distinct electronic and steric properties into target molecules. It is particularly useful in medicinal chemistry for the development of new drug candidates and in materials science for advanced chemical applications,...

Use Context

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

2-Fluoro-3-methoxy-5-(trifluoromethyl)benzoic acid, identified by CAS number 2387276-54-0 and molecular formula C9H6F4O3, is a highly functionalized aromatic carboxylic acid. Its structure features a fluorine atom, a methoxy group, and a trifluoromethyl group attached to a benzoic acid core. This specific arrangement of substituents makes it a valuable intermediate in organic synthesis, enabling the introduction of distinct electronic and steric properties into target molecules. It is particularly useful in medicinal chemistry for the development of new drug candidates and in materials science for advanced chemical applications, serving as a versatile building block for complex chemical structures.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white crystalline powder

Physical State

solid

Melting Point

120.0 °C

Boiling Point

300.0 °C

Density

1.5 g/cm³

Water Solubility

slightly soluble

Flash Point

185.0 °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 chemical-resistant gloves, safety glasses or goggles, and a lab coat. Ensure use in a well-ventilated area or under a fume hood to prevent inhalation. Avoid direct contact with skin and eyes. In case of exposure, rinse affected areas immediately with plenty of water. Store the compound in a cool, dry place, securely sealed and away from incompatible materials. Always refer to the Safety Data Sheet (SDS) for comprehensive safety guidelines and emergency procedures before handling. This product is strictly for research use only and is not intended for human or animal therapeutic, diagnostic, or clinical applications.

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