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2-[3-Bromo-5-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile

CAS 1797290-47-1Formula C12H11BrF3NO2MW 338.12PubChem 75479218

This compound is a brominated, ethoxy, and trifluoroethoxy substituted phenylacetonitrile derivative. It is classified as a research-oriented/research-oriented molecule, suggesting its potential utility in medicinal chemistry and drug discovery research.

Loading RDKit molecule structure...
InChIKey: CYUZJGGKJWKHMA-UHFFFAOYSA-NC12H11BrF3NO2 | MW 338.12

Chemical Identity

Molecular Formula

C12H11BrF3NO2

Molecular Weight

338.12 g/mol

Exact Mass

336.99253

PubChem CID

75479218

SMILES String

CCOc1cc(CC#N)cc(Br)c1OCC(F)(F)F

Names & Synonyms

C12H11BrF3NO2Z801502674
External Identifiers
XWC29047AKOS034591988EN300-53392

Catalog Overview

2-[3-Bromo-5-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile is an organic compound characterized by a phenylacetonitrile core substituted with a bromine atom, an ethoxy group, and a 2,2,2-trifluoroethoxy group. Its molecular formula is C12H11BrF3NO2 and it has a molecular weight of 338.12 g/mol. This compound belongs to the class of research-oriented and research-oriented molecules, making it a valuable building block or lead compound for various research applications, particularly in the synthesis of novel pharmaceutical candidates or probes for biological studies.

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 to off-white crystalline powder

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

380.0 °C

Density

1.45 g/cm³

Water Solubility

Slightly soluble

Flash Point

180.0 °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 2-[3-Bromo-5-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Avoid inhalation of dust or vapors, and prevent skin and eye contact. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before handling.

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