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

CAS 1209382-96-6Formula C11H9BrF3NO2MW 324.09PubChem 45830017

This is a bromo-methoxy-trifluoroethoxy-substituted phenylacetonitrile derivative, characterized by its trifluoroethoxy group and a nitrile functionality. It is primarily intended for research and development applications.

Loading RDKit molecule structure...
InChIKey: FBNNPSXXGMJSPM-UHFFFAOYSA-NC11H9BrF3NO2 | MW 324.09

Chemical Identity

Molecular Formula

C11H9BrF3NO2

Molecular Weight

324.09 g/mol

Exact Mass

322.97688

PubChem CID

45830017

SMILES String

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

Names & Synonyms

G57129Z730610822
External Identifiers
JYB38296AKOS034563769EN300-51860

Catalog Overview

2-[3-Bromo-5-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile is an organic compound with the molecular formula C11H9BrF3NO2 and a molecular weight of 324. 09. It features a phenyl ring substituted with bromine, a methoxy group, and a 2,2,2-trifluoroethoxy group, along with an acetonitrile side chain. This compound belongs to the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in medicinal chemistry and drug discovery research as a building block or lead compound.

Use Context

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

2-[3-Bromo-5-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile is an organic compound with the molecular formula C11H9BrF3NO2 and a molecular weight of 324.09. It features a phenyl ring substituted with bromine, a methoxy group, and a 2,2,2-trifluoroethoxy group, along with an acetonitrile side chain. This compound belongs to the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in medicinal chemistry and drug discovery research as a building block or lead compound. Its unique combination of halogen, ether, and nitrile functionalities makes it a versatile intermediate for synthesizing more complex molecules for research purposes.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

350.0 °C

Density

1.5 g/cm³

Water Solubility

Insoluble

Flash Point

190.0 °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) in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin or eye contact. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, away from incompatible materials. For research use only.

Related Products / Graph Discovery

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

Similar products (text references)

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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.

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.