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3,3,3-Trifluoro-2-(6-methyl-1H-indol-3-yl)propanoic acid

CAS 2197052-76-7Formula C12H10F3NO2MW 257.21PubChem 131637917

3,3,3-Trifluoro-2-(6-methyl-1H-indol-3-yl)propanoic acid is a trifluorinated indole derivative, useful as a chemical building block in organic synthesis. Its indole scaffold and trifluoropropanoic acid moiety make it relevant for medicinal chemistry research, particularly in the development of fluorinated compounds and indole-containing molecules.

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

Chemical Identity

Molecular Formula

C12H10F3NO2

Molecular Weight

257.21 g/mol

Exact Mass

257.066363

PubChem CID

131637917

SMILES String

Cc1ccc2c(C(C(=O)O)C(F)(F)F)c[nH]c2c1

Names & Synonyms

F476293
External Identifiers
MFCD29038568AKOS037654235KS-9275

Catalog Overview

3,3,3-Trifluoro-2-(6-methyl-1H-indol-3-yl)propanoic acid, identified by CAS 2197052-76-7, is an organic compound featuring a 6-methyl-1H-indole core substituted with a 3,3,3-trifluoro-2-propanoic acid group. Its molecular formula is C12H10F3NO2 and it has a molecular weight of 257. 21 g/mol. This compound is characterized by the presence of a trifluoromethyl group, which often imparts unique physicochemical properties such as increased lipophilicity, metabolic stability, and altered pKa values, making it valuable in pharmaceutical and agrochemical research.

Use Context

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

3,3,3-Trifluoro-2-(6-methyl-1H-indol-3-yl)propanoic acid, identified by CAS 2197052-76-7, is an organic compound featuring a 6-methyl-1H-indole core substituted with a 3,3,3-trifluoro-2-propanoic acid group. Its molecular formula is C12H10F3NO2 and it has a molecular weight of 257.21 g/mol. This compound is characterized by the presence of a trifluoromethyl group, which often imparts unique physicochemical properties such as increased lipophilicity, metabolic stability, and altered pKa values, making it valuable in pharmaceutical and agrochemical research. The indole moiety is a privileged structure found in many biologically active compounds. This chemical is primarily intended for research and development applications.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline solid or powder

Physical State

Solid

Melting Point

165.0 °C

Boiling Point

350.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

194.0 °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 (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures before use. This product is for research use only and not for human or animal consumption.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

52840-38-7CAS 52840-38-7
53518-14-2CAS 53518-14-2
153233-36-4CAS 153233-36-4
3,3,3-Trifluoro-2-(5-methyl-1H-indol-3-yl)propanoic acidCAS 252729-38-7
3-Ethyl-7-(trifluoromethyl)-1H-indole-2-carboxylic acidCAS 2060058-82-2

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.