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Atomfair Carbamic acid, diethyl-, 2,2,2-trifluoroethyl ester C7H12F3NO2 CAS 326-94-3

2,2,2-Trifluoroethyl N,N-Diethylcarbamate (CAS No. 326-94-3) is a high-purity specialty chemical with the molecular formula C7H12F3NO2. This organofluorine compound features a carbamate backbone with diethylamine and trifluoroethyl functional groups, making it a valuable intermediate for pharmaceutical, agrochemical, and materials science research. Its unique trifluoroethyl moiety enhances lipophilicity and metabolic stability, ideal for structure-activity relationship (SAR) studies. Available in >98% purity (GC), this compound is rigorously tested for consistency and supplied in sealed, light-resistant packaging under inert gas to ensure stability. Suitable for use in nucleophilic substitutions, cross-coupling reactions, and as a fluorinated building block.

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Description

2,2,2-Trifluoroethyl N,N-Diethylcarbamate (CAS No. 326-94-3) is a high-purity specialty chemical with the molecular formula C7H12F3NO2. This organofluorine compound features a carbamate backbone with diethylamine and trifluoroethyl functional groups, making it a valuable intermediate for pharmaceutical, agrochemical, and materials science research. Its unique trifluoroethyl moiety enhances lipophilicity and metabolic stability, ideal for structure-activity relationship (SAR) studies. Available in >98% purity (GC), this compound is rigorously tested for consistency and supplied in sealed, light-resistant packaging under inert gas to ensure stability. Suitable for use in nucleophilic substitutions, cross-coupling reactions, and as a fluorinated building block.

Properties

  • CAS Number: 326-94-3
  • Complexity: 166
  • IUPAC Name: 2,2,2-trifluoroethyl N,N-diethylcarbamate
  • InChI: InChI=1S/C7H12F3NO2/c1-3-11(4-2)6(12)13-5-7(8,9)10/h3-5H2,1-2H3
  • InChI Key: BXNLMPJGXPPXST-UHFFFAOYSA-N
  • Exact Mass: 199.08201311
  • Molecular Formula: C7H12F3NO2
  • Molecular Weight: 199.17
  • SMILES: CCN(CC)C(=O)OCC(F)(F)F
  • Topological: 29.5
  • Monoisotopic Mass: 199.08201311
  • Synonyms: 326-94-3, Carbamic acid, diethyl-, 2,2,2-trifluoroethyl ester, DTXSID20450063, DTXCID40400883, 2,2,2-trifluoroethyl N,N-diethylcarbamate, 2,2,2-trifluoroethyl diethylcarbamate, SCHEMBL2924105, BXNLMPJGXPPXST-UHFFFAOYSA-N, 2,2,2-trifluoroethyldiethylcarbamate, MFCD20762940, AKOS012027558, SY319094

Application

This compound serves as a versatile fluorinated synthon in medicinal chemistry, particularly for designing enzyme inhibitors or receptor modulators due to its electron-withdrawing trifluoroethyl group. It is also employed in agrochemical research to develop novel pesticides with improved environmental persistence. Additionally, its carbamate structure makes it a candidate for polymer modification or as a protecting group in multi-step organic synthesis.

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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).

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