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

CAS 2421252-78-8Formula C10H8F4O3MW 252.16PubChem 163198106

3-Ethoxy-2-fluoro-4-(trifluoromethyl)benzoic acid is a fluorinated benzoic acid derivative with a molecular formula of C10H8F4O3 and a molecular weight of 252.16. This compound is primarily utilized in research as a chemical building block, particularly in the synthesis of novel fluorinated organic molecules.

Loading RDKit molecule structure...
InChIKey: HJKOXJKTJOALPW-UHFFFAOYSA-NC10H8F4O3 | MW 252.16

Chemical Identity

Molecular Formula

C10H8F4O3

Molecular Weight

252.16 g/mol

Exact Mass

252.040957

PubChem CID

163198106

SMILES String

CCOc1c(C(F)(F)F)ccc(C(=O)O)c1F

Names & Synonyms

E96718F628461
External Identifiers
SCHEMBL25005924MFCD33403951CS-0190459

Catalog Overview

3-Ethoxy-2-fluoro-4-(trifluoromethyl)benzoic acid is an organic compound characterized by a benzoic acid core substituted with an ethoxy group, a fluorine atom, and a trifluoromethyl group. With a CAS number of 2421252-78-8, this molecule presents a unique combination of functional groups that make it valuable in synthetic organic chemistry. Its 'druglike_bioactive_like' structural classification suggests potential utility in medicinal chemistry research, where fluorinated compounds are often explored for their altered physicochemical properties and enhanced biological activity. It serves as a versatile intermediate for the...

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Read more catalog context

3-Ethoxy-2-fluoro-4-(trifluoromethyl)benzoic acid is an organic compound characterized by a benzoic acid core substituted with an ethoxy group, a fluorine atom, and a trifluoromethyl group. With a CAS number of 2421252-78-8, this molecule presents a unique combination of functional groups that make it valuable in synthetic organic chemistry. Its 'druglike_bioactive_like' structural classification suggests potential utility in medicinal chemistry research, where fluorinated compounds are often explored for their altered physicochemical properties and enhanced biological activity. It serves as a versatile intermediate for the construction of more complex molecular architectures.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline powder

Physical State

Solid

Melting Point

105.0 °C

Boiling Point

290.0 °C

Density

1.5 g/cm³

Water Solubility

Slightly soluble

Flash Point

160.0 °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 3-Ethoxy-2-fluoro-4-(trifluoromethyl)benzoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. Ensure proper storage in a cool, dry place, away from incompatible materials. Dispose of waste according to institutional and local regulations.

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