MolGraphChemical Intelligence
Active Chemical RecordCatalog PreviewCatalog ready

4-Cyano-3-fluorophenyl 4-Ethylbenzoate

CAS 86776-50-3Formula C16H12FNO2MW 269.27PubChem 13643744

4-Cyano-3-fluorophenyl 4-Ethylbenzoate (CAS 86776-50-3) is an organic compound with the molecular formula C16H12FNO2 and a molecular weight of 269.27 g/mol. This compound is intended for research use only.

Loading RDKit molecule structure...
InChIKey: CDXMJQJMSJCJLU-UHFFFAOYSA-NC16H12FNO2 | MW 269.27

Chemical Identity

Molecular Formula

C16H12FNO2

Molecular Weight

269.27 g/mol

Exact Mass

269.085207

PubChem CID

13643744

IUPAC Name

(4-cyano-3-fluorophenyl) 4-ethylbenzoate

SMILES String

CCc1ccc(C(=O)Oc2ccc(C#N)c(F)c2)cc1

Names & Synonyms

617-916-74-cyano-3-fluorophenyl-4-ethylbenzoateBenzoic acid, 4-ethyl-,4-cyano-3-fluorophenyl ester3-FLUORO-4-CYANOPHENYL 4-ETHYLBENZOATE4-Ethyl-benzoic acid 4-cyano-3-fluoro-phenyl ester
Show all synonyms
2BzoFCPOprea1_120210Oprea1_576067CDXMJQJMSJCJLU-UHFFFAOYSA-N(4-cyano-3-fluoro-phenyl) 4-ethylbenzoateC3540F519513
External Identifiers
DTXSID50545759RefChem:98643DTXCID80496543MFCD00689047ME-2NFSCHEMBL4650773SBB059570AKOS024389717DS-3282SB66415SY234527CS-0061457ST51044518

Catalog Overview

4-Cyano-3-fluorophenyl 4-Ethylbenzoate, identified by CAS number 86776-50-3, is a chemical compound characterized by its molecular formula C16H12FNO2 and a molecular weight of 269.27. It features a cyano group, a fluoro substituent, and an ethylbenzoate ester linkage to a phenyl ring. This compound is primarily offered for research and development applications.

Use Context

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

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white crystalline solid

Physical State

solid

Melting Point

120.0 °C

Boiling Point

354.0 °C

Density

1.26 g/cm³

Water Solubility

very slightly soluble

Flash Point

210.0 °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 4-Cyano-3-fluorophenyl 4-Ethylbenzoate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.

Related Products / Graph Discovery

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

Similar products (text references)

611197-61-6CAS 611197-61-6
305334-58-1CAS 305334-58-1
835891-41-3CAS 835891-41-3
1096698-35-9CAS 1096698-35-9
920270-30-0CAS 920270-30-0

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 292690GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

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