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1-methyl-5-(trifluoromethyl)-1H-indole-2-carboxylic acid

CAS 1257092-36-6Formula C11H8F3NO2MW 243.18PubChem 54593552

1-methyl-5-(trifluoromethyl)-1H-indole-2-carboxylic acid is a trifluoromethylated indole derivative, commonly utilized as a versatile building block in synthetic organic chemistry for research purposes.

Loading RDKit molecule structure...
InChIKey: BJHNBAXVLXMLIM-UHFFFAOYSA-NC11H8F3NO2 | MW 243.18

Chemical Identity

Molecular Formula

C11H8F3NO2

Molecular Weight

243.18 g/mol

Exact Mass

243.050713

PubChem CID

54593552

IUPAC Name

1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid

SMILES String

Cn1c(C(=O)O)cc2cc(C(F)(F)F)ccc21

Names & Synonyms

850-018-51-Methyl-5-trifluoromethyl-1H-indole-2-carboxylic acid1H-Indole-2-carboxylic acid, 1-methyl-5-(trifluoromethyl)-BJHNBAXVLXMLIM-UHFFFAOYSA-NP12492
Show all synonyms
1-methyl-5-(trifluoromethyl)-1H-indole-2-carboxylicacidZ1202205267
External Identifiers
RefChem:434454MFCD18839099SCHEMBL10253563HAC09236AKOS023166130SB12496AS-51363DB-375413CS-0052438EN300-77979

Catalog Overview

1-methyl-5-(trifluoromethyl)-1H-indole-2-carboxylic acid, with CAS 1257092-36-6 and molecular formula C11H8F3NO2, is an organic compound featuring a 1-methyl-1H-indole core substituted with a trifluoromethyl group at position 5 and a carboxylic acid group at position 2. This heterocycle building block is of interest in various research applications, particularly in the synthesis of novel compounds where the indole scaffold and trifluoromethyl moiety are desired for their distinct chemical and biological properties.

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

153.7 °C

Boiling Point

324.4 °C

Density

1.45 g/cm³

Water Solubility

5.18 × 10⁻⁴ mol/L

Flash Point

170.9 °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-methyl-5-(trifluoromethyl)-1H-indole-2-carboxylic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Avoid inhalation, ingestion, and skin contact. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures.

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