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Atomfair Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate C11H8F3NO2 CAS 1098340-27-2

Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate (CAS No. 1098340-27-2) is a high-purity fluorinated indole derivative with the molecular formula C11H8F3NO2. This compound is a versatile building block in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials. Its unique trifluoromethyl group enhances lipophilicity and metabolic stability, making it valuable in medicinal chemistry. The product is rigorously tested for quality, with HPLC and NMR verification to ensure ≥95% purity. Suitable for research and industrial applications, it is supplied in sealed packaging under inert conditions to maintain stability. Synonyms include MFCD11655690 and SCHEMBL24190146.

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Description

Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate (CAS No. 1098340-27-2) is a high-purity fluorinated indole derivative with the molecular formula C11H8F3NO2. This compound is a versatile building block in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials. Its unique trifluoromethyl group enhances lipophilicity and metabolic stability, making it valuable in medicinal chemistry. The product is rigorously tested for quality, with HPLC and NMR verification to ensure ≥95% purity. Suitable for research and industrial applications, it is supplied in sealed packaging under inert conditions to maintain stability. Synonyms include MFCD11655690 and SCHEMBL24190146.

Properties

  • CAS Number: 1098340-27-2
  • Complexity: 306
  • IUPAC Name: methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate
  • InChI: InChI=1S/C11H8F3NO2/c1-17-10(16)9-5-6-7(11(12,13)14)3-2-4-8(6)15-9/h2-5,15H,1H3
  • InChI Key: HEEQKKQXILYZNF-UHFFFAOYSA-N
  • Exact Mass: 243.05071298
  • Molecular Formula: C11H8F3NO2
  • Molecular Weight: 243.18
  • SMILES: COC(=O)C1=CC2=C(C=CC=C2N1)C(F)(F)F
  • Topological: 42.1
  • Monoisotopic Mass: 243.05071298
  • Synonyms: methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate, 1098340-27-2, 815-613-6, MFCD11655690, SCHEMBL24190146, DTXSID601227651, YTB34027, BBL022011, STK894730, AKOS005144445, DS-8716, SY115994, DB-187983, CS-0041509, EN300-336953, F52673, methyl4-(trifluoromethyl)-1H-indole-2-carboxylate

Application

Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate is widely used as a key intermediate in the synthesis of bioactive molecules, particularly in drug discovery for its trifluoromethyl-indole scaffold. It serves as a precursor for developing potential anticancer, antiviral, and anti-inflammatory agents due to its enhanced pharmacokinetic properties. Researchers also utilize it in material science to create fluorinated polymers with unique electronic properties. Its stability and reactivity make it ideal for cross-coupling reactions and heterocyclic chemistry.

Safety and Hazards

GHS Hazard Statements

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

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (100%)
  • STOT SE 3 (100%)

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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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