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CAS 2378-02-1

Nonafluoro-tert-butyl Alcohol TCI N0692

Nonafluoro-tert-butyl Alcohol TCI N0692

Chemical Identity

CAS No.
2378-02-1
PubChem
CID 16924·SID 87574001
Formula
C4HF9O
Molecular weight
236.04 g/mol
Purity
>98.0%(GC)
Reference databases
ECHA·Wikipedia
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol
SMILES
C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)O
InChIKey
XZNOAVNRSFURIR-UHFFFAOYSA-N
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Nonafluoro-tert-butyl Alcohol from TCI (product code N0692), also known as perfluoro-tert-butanol, is a tertiary alcohol in which all three methyl groups have been replaced by trifluoromethyl groups. Because the molecule is symmetrical, its nine fluorine atoms are chemically equivalent. This makes it an unusual member of the fluorinated building block family. In the laboratory it is used to introduce the perfluoro-tert-butyl group into target molecules, as a specialty solvent or additive, and as a reagent in organofluorine and coordination chemistry.

The three trifluoromethyl groups strongly withdraw electrons, so the hydroxyl group is far more acidic than in ordinary alcohols, while the compound itself is only weakly nucleophilic. Together, these properties make it a strong hydrogen-bond-donating solvent or co-solvent that can stabilize cationic intermediates without competing as a nucleophile. Its conjugate base, the perfluoro-tert-butoxide anion, coordinates very weakly and is used to build weakly coordinating ligands and anions. Because all nine fluorines are equivalent, the group gives one sharp signal in 19F NMR, which makes it a popular tracer label.

In Indonesia, this material suits research groups working in organofluorine chemistry, inorganic and organometallic chemistry, and synthetic methodology at universities, research institutes, and industrial R&D laboratories. Chemists can use it to prepare perfluoro-tert-butyl derivatives, to test reaction conditions that need a strongly hydrogen-bonding, weakly nucleophilic medium, or to design molecules with a clean 19F NMR handle for reaction monitoring, binding studies, or analytical method development in teaching and research settings.

TCI brochures (PDF)

  • Introducing the perfluoro-tert-butyl group: the compound works as a building block that installs a bulky, symmetrical, heavily fluorinated group onto target molecules during synthetic work.
  • Specialty solvent or co-solvent: its highly acidic hydroxyl group and weak nucleophilicity give strong hydrogen bonding that can stabilize cationic intermediates without reacting with them.
  • Weakly coordinating anions and ligands: the perfluoro-tert-butoxide conjugate base coordinates very weakly, so it is useful for building ligands and anions in coordination and organometallic chemistry.
  • 19F NMR tracer labeling: the nine equivalent fluorine atoms give a single sharp 19F NMR signal, which makes the group easy to detect and track in complex mixtures.
  • Organofluorine reagent studies: its unusual electronic properties make it a useful reagent for exploring reactivity, acidity effects, and fluorine-substituent behavior in organofluorine chemistry research.

Brand TCI (product code N0692)
CAS number 2378-02-1
Molecular formula —
Purity —
Category Chemistry > Building Blocks > Fluorinated Building Blocks
Pack sizes available in the pack sizes TCI offers for this product; please confirm when ordering
Physical form see the TCI product specification sheet
Storage follow the storage conditions on the TCI label and Safety Data Sheet

Store Nonafluoro-tert-butyl Alcohol in its original, tightly closed container in a cool, dry, well-ventilated area, away from heat sources, strong bases, and incompatible materials, and follow the specific conditions on the TCI label and Safety Data Sheet. Keep containers sealed when not in use to reduce evaporation and contamination. Handle it in a fume hood and wear suitable personal protective equipment, including chemical-resistant gloves, safety goggles, and a laboratory coat. Because it is a strongly acidic fluorinated alcohol, avoid contact with skin, eyes, and inhalation of vapors. Dispose of waste according to local regulations for fluorinated organic chemicals.

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