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Atomfair Ethyl 6-(trifluoromethyl)-1H-indole-2-carboxylate C12H10F3NO2 CAS 327-21-9

Ethyl 6-(trifluoromethyl)-1H-indole-2-carboxylate (CAS No. 327-21-9) is a high-purity fluorinated indole derivative with the molecular formula C12H10F3NO2. This compound features a trifluoromethyl group at the 6-position of the indole ring and an ethyl ester moiety at the 2-position, making it a versatile building block for pharmaceutical and agrochemical research. It is supplied as a crystalline solid with ≥97% purity (HPLC), ensuring optimal performance in synthetic applications. Suitable for use in cross-coupling reactions, heterocyclic chemistry, and as a precursor for bioactive molecules. Packaged under inert gas to enhance stability and shipped with comprehensive analytical data (NMR, MS, HPLC).

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Description

Ethyl 6-(trifluoromethyl)-1H-indole-2-carboxylate (CAS No. 327-21-9) is a high-purity fluorinated indole derivative with the molecular formula C12H10F3NO2. This compound features a trifluoromethyl group at the 6-position of the indole ring and an ethyl ester moiety at the 2-position, making it a versatile building block for pharmaceutical and agrochemical research. It is supplied as a crystalline solid with ≥97% purity (HPLC), ensuring optimal performance in synthetic applications. Suitable for use in cross-coupling reactions, heterocyclic chemistry, and as a precursor for bioactive molecules. Packaged under inert gas to enhance stability and shipped with comprehensive analytical data (NMR, MS, HPLC).

Properties

  • CAS Number: 327-21-9
  • Complexity: 319
  • IUPAC Name: ethyl 6-(trifluoromethyl)-1H-indole-2-carboxylate
  • InChI: InChI=1S/C12H10F3NO2/c1-2-18-11(17)10-5-7-3-4-8(12(13,14)15)6-9(7)16-10/h3-6,16H,2H2,1H3
  • InChI Key: MIBFONNBTQRYGN-UHFFFAOYSA-N
  • Exact Mass: 257.06636305
  • Molecular Formula: C12H10F3NO2
  • Molecular Weight: 257.21
  • SMILES: CCOC(=O)C1=CC2=C(N1)C=C(C=C2)C(F)(F)F
  • Topological: 42.1
  • Monoisotopic Mass: 257.06636305
  • Synonyms: Ethyl 6-(trifluoromethyl)-1H-indole-2-carboxylate, 327-21-9, DTXSID50624614, DTXCID80575367, 892-135-4, ethyl 6-(trifluoromethyl)-indole-2-carboxylate, MFCD09833401, ethyl 6-(trifluoromethyl)indole-2-carboxylate, SCHEMBL2139103, 1H-Indole-2-carboxylic acid, 6-(trifluoromethyl)-, ethyl ester, AKOS016007348, DS-16609, SY040115, DB-351612, I10652, 6-trifluoromethyl-1H-indole-2-carboxylic acid ethyl ester, , 6-(trifluoromethyl)-1H-Indole-2-carboxylic acid ethyl ester

Application

Ethyl 6-(trifluoromethyl)-1H-indole-2-carboxylate is widely used in medicinal chemistry as a key intermediate for the synthesis of trifluoromethyl-substituted indole scaffolds. Its electron-withdrawing CF3 group enhances metabolic stability in drug candidates, particularly for CNS and oncology targets. Researchers also employ it in the development of fluorescent probes and agrochemicals due to its unique photophysical properties.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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