Description

3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propanenitrile (CAS No. 677-77-0) is a highly fluorinated organic compound with the molecular formula C₄HF₆NO. This specialty chemical features a unique trifluoromethyl and hydroxyl functional group arrangement, making it a valuable intermediate in synthetic organic chemistry and fluorochemical research. The compound’s high fluorine content imparts exceptional stability and reactivity, particularly in nucleophilic substitution reactions and as a precursor for fluorinated building blocks.

With a purity grade suitable for research and development applications, this product is rigorously tested to meet stringent quality standards. It is supplied in a securely sealed container under inert conditions to ensure stability and longevity. Ideal for pharmaceutical, agrochemical, and materials science research, this compound enables the synthesis of advanced fluorinated molecules with tailored properties.

Synonyms: 2-Hydroxy-2-(trifluoromethyl)-3,3,3-trifluoropropiononitrile, 2-Hydroxy-2-(trifluoromethyl)-3,3,3-trifluoropropionitrile.

Properties

• CAS Number: 677-77-0
• Complexity: 204
• IUPAC Name: 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanenitrile
• InChI: InChI=1S/C4HF6NO/c5-3(6,7)2(12,1-11)4(8,9)10/h12H
• InChI Key: FIQYSBFGWWJTQS-UHFFFAOYSA-N
• Exact Mass: 192.99623263
• Molecular Formula: C4HF6NO
• Molecular Weight: 193.05
• SMILES: C(#N)C(C(F)(F)F)(C(F)(F)F)O
• Topological: 44
• Monoisotopic Mass: 192.99623263
• Synonyms: 677-77-0, 2-Hydroxy-2-(trifluoromethyl)-3,3,3-trifluoropropiononitrile, 3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propanenitrile, 2-Hydroxy-2-(trifluoromethyl)-3,3,3-trifluoropropionitrile, SCHEMBL29292404, FIQYSBFGWWJTQS-UHFFFAOYSA-N, AKOS006373985, 3,3,3-trifluoro-2-(trifluoromethyl)-lactonitrile

Application

3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propanenitrile serves as a key fluorinated synthon in pharmaceutical and agrochemical research, enabling the introduction of trifluoromethyl groups into complex molecules. Its reactivity is leveraged in the synthesis of bioactive compounds, including potential enzyme inhibitors and receptor modulators. Researchers also utilize this compound in materials science for developing fluoropolymers with enhanced thermal and chemical resistance.

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