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Pentafluorophenyl 1-methyl-1H-indole-7-carboxylate

CAS 941716-96-7Formula C16H8F5NO2MW 341.23PubChem 24229744

Pentafluorophenyl 1-methyl-1H-indole-7-carboxylate (CAS 941716-96-7) is a research-use chemical with the formula C16H8F5NO2 and a molecular weight of 341.23. This compound features a pentafluorophenyl ester group attached to a 1-methyl-1H-indole-7-carboxylate core, making it potentially useful in synthetic organic chemistry, particularly for esterifications or as a building block in the synthesis of more complex indole derivatives.

Loading RDKit molecule structure...
InChIKey: UEOKRSIJVAQHID-UHFFFAOYSA-NC16H8F5NO2 | MW 341.23

Chemical Identity

Molecular Formula

C16H8F5NO2

Molecular Weight

341.23 g/mol

Exact Mass

341.047519

PubChem CID

24229744

IUPAC Name

(2,3,4,5,6-pentafluorophenyl) 1-methylindole-7-carboxylate

SMILES String

Cn1ccc2cccc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)c21

Names & Synonyms

1-methyl-7-indolecarboxylic acid (2,3,4,5,6-pentafluorophenyl) esterC16H8F5NO22,3,4,5,6-pentafluorophenyl 1-methyl-1H-indole-7-carboxylate
External Identifiers
MFCD09879962DTXSID20640447MS-22646DB-079805

Catalog Overview

Pentafluorophenyl 1-methyl-1H-indole-7-carboxylate, identified by CAS 941716-96-7, is an organic compound intended for research and development applications. It possesses a molecular formula of C16H8F5NO2 and a molecular weight of 341. 23 g/mol. Structurally, it combines a 1-methyl-1H-indole-7-carboxylate moiety with a pentafluorophenyl ester.

Use Context

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

Pentafluorophenyl 1-methyl-1H-indole-7-carboxylate, identified by CAS 941716-96-7, is an organic compound intended for research and development applications. It possesses a molecular formula of C16H8F5NO2 and a molecular weight of 341.23 g/mol. Structurally, it combines a 1-methyl-1H-indole-7-carboxylate moiety with a pentafluorophenyl ester. The pentafluorophenyl group is known for its electron-withdrawing properties, which can influence the reactivity of the ester linkage, making it a valuable reagent in various synthetic transformations. This compound is classified within the research-oriented chemical scaffold, suggesting its potential relevance in medicinal chemistry research as a scaffold or intermediate for synthesizing biologically active molecules. Its unique structural features may enable its use in coupling reactions, as a precursor for indole-based pharmaceuticals, or in material science research.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

120.0 °C

Boiling Point

342.0 °C

Density

1.65 g/cm³

Water Solubility

Insoluble

Flash Point

201.0 °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 Pentafluorophenyl 1-methyl-1H-indole-7-carboxylate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat. Avoid inhalation, ingestion, and skin contact. In case of exposure, refer to the Safety Data Sheet (SDS) for specific first-aid measures. Store in a cool, dry place, away from incompatible materials. Dispose of waste according to local regulations. This compound is for research use only and not for human or animal therapeutic or diagnostic use.

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: 293399GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

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