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1-(2-chloro-4-fluorobenzyl)-3-formyl-1H-indole-2-carboxylic acid

CAS 903160-22-5Formula C17H11ClFNO3MW 331.7PubChem 3544178

This compound is a chloro-fluoro-substituted indole derivative featuring a formyl group and a carboxylic acid functionality. It is primarily offered for research and development purposes.

Loading RDKit molecule structure...
InChIKey: QRWUUOQSJVTTHH-UHFFFAOYSA-NC17H11ClFNO3 | MW 331.7

Chemical Identity

Molecular Formula

C17H11ClFNO3

Molecular Weight

331.7 g/mol

Exact Mass

331.041149

PubChem CID

3544178

IUPAC Name

1-[(2-chloro-4-fluorophenyl)methyl]-3-formylindole-2-carboxylic acid

SMILES String

O=Cc1c(C(=O)O)n(Cc2ccc(F)cc2Cl)c2ccccc12

Names & Synonyms

1H-indole-2-carboxylic acid, 1-[(2-chloro-4-fluorophenyl)methyl]-3-formyl-HMS2866P201-(2-chloro-4-fluorobenzyl)-3-formyl-1H-indole-2-carboxylicacid1-[(2-CHLORO-4-FLUOROPHENYL)METHYL]-3-FORMYL-1H-INDOLE-2-CARBOXYLIC ACID
External Identifiers
MLS001199055SCHEMBL2555920CHEMBL1583613ALBB-020087AKOS001508069SMR000563152

Catalog Overview

1-(2-chloro-4-fluorobenzyl)-3-formyl-1H-indole-2-carboxylic acid, identified by CAS 903160-22-5, is an organic compound with the molecular formula C17H11ClFNO3 and a molecular weight of 331.70. Structurally, it features an indole core substituted at the 1-position with a 2-chloro-4-fluorobenzyl group, at the 3-position with a formyl group, and at the 2-position with a carboxylic acid. This compound is classified within the research-oriented chemical scaffold, suggesting its potential relevance in medicinal chemistry and drug discovery research as a building block or lead compound. It is intended strictly for Research Use Only (RUO).

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 to off-white solid

Physical State

Solid

Melting Point

195.0 °C

Boiling Point

450.0 °C

Density

1.45 g/cm³

Water Solubility

>49.8 [ug/mL] (The mean of the results at pH 7.4)

Flash Point

280.0 °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 1-(2-chloro-4-fluorobenzyl)-3-formyl-1H-indole-2-carboxylic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety glasses, 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 comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.

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