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3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid

CAS 1069110-72-0Formula C17H9Cl2F3N2O3MW 417.2PubChem 24970314

This compound is a complex organic molecule featuring an indole core substituted with a dichloroanilino-oxoethyl group and trifluoro groups. It is classified as a research-oriented/research-oriented compound, suggesting its potential utility in medicinal chemistry and drug discovery research.

Loading RDKit molecule structure...
InChIKey: XWTOEZDPMQBBMY-UHFFFAOYSA-NC17H9Cl2F3N2O3 | MW 417.2

Chemical Identity

Molecular Formula

C17H9Cl2F3N2O3

Molecular Weight

417.2 g/mol

Exact Mass

415.994232

PubChem CID

24970314

SMILES String

O=C(Cc1c(C(=O)O)[nH]c2c(F)c(F)c(F)cc12)Nc1ccc(Cl)c(Cl)c1

Names & Synonyms

J10-1EX-A8994
External Identifiers
SCHEMBL8142220HY-157269CS-0909121

Catalog Overview

3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid is a synthetic organic compound with the molecular formula C17H9Cl2F3N2O3 and a molecular weight of 417. 20. Its structure incorporates a 1H-indole-2-carboxylic acid scaffold, which is trifluorinated at positions 5, 6, and 7. A 2-(3,4-dichloroanilino)-2-oxoethyl substituent is attached at the 3-position of the indole ring.

Use Context

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

3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid is a synthetic organic compound with the molecular formula C17H9Cl2F3N2O3 and a molecular weight of 417.20. Its structure incorporates a 1H-indole-2-carboxylic acid scaffold, which is trifluorinated at positions 5, 6, and 7. A 2-(3,4-dichloroanilino)-2-oxoethyl substituent is attached at the 3-position of the indole ring. This combination of indole, halogenation (chlorine and fluorine), and anilide functionalities makes it a compound of interest in the synthesis of novel chemical entities, particularly within the research-oriented and research-oriented chemical space. It is intended for research use only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

180.0 °C

Density

1.5 g/cm³

Water Solubility

Slightly soluble to insoluble

Flash Point

220.0 °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, 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. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, away from incompatible materials. This product is for research use only and not for human or animal therapeutic or diagnostic use.

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