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2-[3-Chloro-5-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile

CAS 1209937-54-1Formula C11H9ClF3NO2MW 279.64PubChem 45830010

This compound is a chlorinated, methoxylated, and trifluoroethoxy-substituted phenylacetonitrile derivative. It is primarily intended for research and development applications.

Loading RDKit molecule structure...
InChIKey: DLTQTRXIHHVKSU-UHFFFAOYSA-NC11H9ClF3NO2 | MW 279.64

Chemical Identity

Molecular Formula

C11H9ClF3NO2

Molecular Weight

279.64 g/mol

Exact Mass

279.027391

PubChem CID

45830010

SMILES String

COc1cc(CC#N)cc(Cl)c1OCC(F)(F)F

Names & Synonyms

C11H9ClF3NO2G57136Z730610820
External Identifiers
JYB93754AKOS034563768EN300-51859

Catalog Overview

2-[3-Chloro-5-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile is an organic chemical characterized by a phenylacetonitrile core substituted with a chlorine atom, a methoxy group, and a 2,2,2-trifluoroethoxy group. Its molecular formula is C11H9ClF3NO2 and it has a molecular weight of 279.64 g/mol. This compound falls into the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in medicinal chemistry research, drug discovery, and the synthesis of novel compounds.

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 solid

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

310.0 °C

Density

1.35 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 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. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Refer to the Safety Data Sheet (SDS) for comprehensive safety information.

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