Description

Perfluoro-tert-butyl alcohol (CAS No. 2378-02-1), also known as 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol, is a highly fluorinated tertiary alcohol with the molecular formula C₄HF₉O. This specialty fluorochemical is characterized by its exceptional thermal and chemical stability due to the presence of nine fluorine atoms. The compound is a clear, colorless liquid with a low boiling point and high volatility, making it suitable for applications requiring inert, non-reactive solvents or intermediates. Its unique perfluorinated tert-butyl structure imparts strong electron-withdrawing properties, which are valuable in organic synthesis, catalysis, and material science. Perfluoro-tert-butyl alcohol is often utilized as a precursor for advanced fluorinated materials, including surfactants, polymers, and pharmaceuticals. It is stored under inert conditions to maintain purity and stability.

Properties

• CAS Number: 2378-02-1
• Complexity: 170
• IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol
• InChI: InChI=1S/C4HF9O/c5-2(6,7)1(14,3(8,9)10)4(11,12)13/h14H
• InChI Key: XZNOAVNRSFURIR-UHFFFAOYSA-N
• Exact Mass: 235.98836811
• Molecular Formula: C4HF9O
• Molecular Weight: 236.04
• SMILES: C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)O
• Topological: 20.2
• Monoisotopic Mass: 235.98836811
• Synonyms: Perfluoro-tert-butanol, Perfluoro-tert-butyl alcohol, 219-157-3, 2378-02-1, Nonafluoro-tert-butanol, Nonafluoro-tert-butyl alcohol, Perfluoro-t-butanol, 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol, 2-PROPANOL, 1,1,1,3,3,3-HEXAFLUORO-2-(TRIFLUOROMETHYL)-, MFCD00042092, Nonafluor-terc.butanol, 1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)-2-propanol, 1,1,1,3,3,3-Hexafluoro-2-trifluoromethyl-2-propanol, Nonafluor-terc.butanol [Czech], EINECS 219-157-3, BRN 1841640, AI3-29338, 2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethanol, (CF3)3COH, perfluoro-tertiarybutyl alcohol, SCHEMBL140004, SCHEMBL266764, perfluoro-tertiary-butyl alcohol, DTXSID5073292, XZNOAVNRSFURIR-UHFFFAOYSA-, Nonafluoro-tert-butyl alcohol, 99%, SBB098511, AKOS005063541, AT23002, FS-4212, SY009404, DB-231647, CS-0119903, N0692, NS00015518, Ethanol, 2,2,2-trifluoro-1,1-bis(trifluoromethyl)-, 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)-propan-2-ol, 2-propanol, 1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-, InChI=1/C4HF9O/c5-2(6,7)1(14,3(8,9)10)4(11,12)13/h14H

Application

Perfluoro-tert-butyl alcohol is widely used as a building block in the synthesis of fluorinated polymers and specialty chemicals due to its robust stability and reactivity. It serves as a key intermediate in pharmaceutical research for introducing perfluoro-tert-butyl groups into drug molecules to enhance metabolic stability. The compound is also employed in catalysis and as a solvent in high-performance material formulations, particularly where inert and non-polar media are required.

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]
• H331 (16%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (82%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (98%): 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, P316, P317, 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%)
• Acute Tox. 3 (16%)
• Acute Tox. 4 (82%)
• STOT SE 3 (98%)

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