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4-Cyano-3,5-difluorophenyl 4-ethylbenzoate

CAS 337367-01-8Formula C16H11F2NO2MW 287.26PubChem 23391208

4-Cyano-3,5-difluorophenyl 4-ethylbenzoate is a fluorinated aromatic ester with a cyano group, suitable for research applications in medicinal chemistry and materials science. It falls into the 'druglike_bioactive_like' structural bucket and is intended for Research Use Only (RUO).

Loading RDKit molecule structure...
InChIKey: GELNXVAEDMBNNR-UHFFFAOYSA-NC16H11F2NO2 | MW 287.26

Chemical Identity

Molecular Formula

C16H11F2NO2

Molecular Weight

287.26 g/mol

Exact Mass

287.075785

PubChem CID

23391208

IUPAC Name

(4-cyano-3,5-difluorophenyl) 4-ethylbenzoate

SMILES String

CCc1ccc(C(=O)Oc2cc(F)c(C#N)c(F)c2)cc1

Names & Synonyms

4-Cyano-3,5-difluorophenyl 4-ethyl-benzoate(4-Cyano-3,5-Difluoro-Phenyl) 4-Ethylbenzoate2BzodFCP4-Cyano-3,5-difluorophenyl4-ethylbenzoate4-Ethyl-benzoic acid 4-cyano-3,5-difluoro-phenyl ester
External Identifiers
MFCD11053372SCHEMBL15284565DTXSID50633564CS-0451318

Catalog Overview

4-Cyano-3,5-difluorophenyl 4-ethylbenzoate is an organic compound characterized by a 4-ethylbenzoate ester linked to a 4-cyano-3,5-difluorophenyl moiety. With a molecular formula of C16H11F2NO2 and a molecular weight of 287. 26, this compound features both fluorine atoms and a cyano group on the phenyl ring, which can impart specific electronic and steric properties. Its 'druglike_bioactive_like' classification suggests potential utility in drug discovery research, chemical synthesis, or as a building block for more complex molecules.

Use Context

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

4-Cyano-3,5-difluorophenyl 4-ethylbenzoate is an organic compound characterized by a 4-ethylbenzoate ester linked to a 4-cyano-3,5-difluorophenyl moiety. With a molecular formula of C16H11F2NO2 and a molecular weight of 287.26, this compound features both fluorine atoms and a cyano group on the phenyl ring, which can impart specific electronic and steric properties. Its 'druglike_bioactive_like' classification suggests potential utility in drug discovery research, chemical synthesis, or as a building block for more complex molecules. Researchers may explore its use in structure-activity relationship studies, as a synthetic intermediate, or in the development of novel materials where fluorinated aromatic systems are advantageous. This compound is intended for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

105.0 °C

Boiling Point

361.0 °C

Density

1.32 g/cm³

Water Solubility

Insoluble

Flash Point

208.1 °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 (PPE) 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. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.

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