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3-Ethyl-7-(trifluoromethyl)-1H-indole-2-carboxylic acid

CAS 2060058-82-2Formula C12H10F3NO2MW 257.21PubChem 125454703

3-Ethyl-7-(trifluoromethyl)-1H-indole-2-carboxylic acid is a research-use chemical with the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. This indole derivative contains a trifluoromethyl group and a carboxylic acid functionality, making it a potential building block or lead compound in medicinal chemistry and drug discovery research.

Loading RDKit molecule structure...
InChIKey: XMRJOHBIOJFAMX-UHFFFAOYSA-NC12H10F3NO2 | MW 257.21

Chemical Identity

Molecular Formula

C12H10F3NO2

Molecular Weight

257.21 g/mol

Exact Mass

257.066363

PubChem CID

125454703

SMILES String

CCc1c(C(=O)O)[nH]c2c(C(F)(F)F)cccc12

Names & Synonyms

3-Ethyl-7-(trifluoromethyl)-1H-indole-2-carboxylicacid
External Identifiers
EN300-336974

Catalog Overview

3-Ethyl-7-(trifluoromethyl)-1H-indole-2-carboxylic acid, identified by CAS Number 2060058-82-2 and PubChem CID 125454703, is an organic compound characterized by an indole core substituted with an ethyl group at position 3, a trifluoromethyl group at position 7, and a carboxylic acid group at position 2. Its molecular formula is C12H10F3NO2 and its exact mass is 257. 066363. This compound is classified within the 'druglike_bioactive_like' structural bucket, suggesting its relevance in the synthesis of novel compounds with potential biological activity.

Use Context

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

3-Ethyl-7-(trifluoromethyl)-1H-indole-2-carboxylic acid, identified by CAS Number 2060058-82-2 and PubChem CID 125454703, is an organic compound characterized by an indole core substituted with an ethyl group at position 3, a trifluoromethyl group at position 7, and a carboxylic acid group at position 2. Its molecular formula is C12H10F3NO2 and its exact mass is 257.066363. This compound is classified within the 'druglike_bioactive_like' structural bucket, suggesting its relevance in the synthesis of novel compounds with potential biological activity. Researchers may utilize this compound as a versatile intermediate in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, or for structure-activity relationship studies.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

200.0 °C

Boiling Point

350.0 °C

Density

1.45 g/cm³

Water Solubility

Slightly soluble

Flash Point

200.0 °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 3-Ethyl-7-(trifluoromethyl)-1H-indole-2-carboxylic acid 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 contact, wash thoroughly with water. Consult the Safety Data Sheet (SDS) for detailed hazard information and emergency procedures before use.

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