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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...

Use Context

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

Related Products / Graph Discovery

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

Similar products (text references)

2229410-02-8CAS 2229410-02-8
2228701-52-6CAS 2228701-52-6

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 291899GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.