T63002

2,2,2-Trifluoroethanol

ReagentPlus^®, ≥99%

• Synonym(s): Trifluoroethyl alcohol
• Linear Formula: CF₃CH₂OH
• CAS Number: 75-89-8
• Molecular Weight: 100.04
• Beilstein: 1733203
• EC Number: 200-913-6
• MDL number: MFCD00004672
• UNSPSC Code: 12191601
• PubChem Substance ID: 329826635
• NACRES: NA.21
• grade: reagent
• bp: 77-80 °C (lit.)
• vapor pressure: 70 mmHg ( 25 °C)

Properties

• grade: reagent
• vapor density: 3.5 (vs air)
• vapor pressure: 70 mmHg ( 25 °C)
• product line: ReagentPlus^®
• Assay: ≥99%
• form: liquid
• autoignition temp.: ~896 °F
• expl. lim.: 42 %
• dilution: (for general lab use)
• refractive index: n20/D 1.3 (lit.)
• pH: 7
• bp: 77-80 °C (lit.)
• mp: −44 °C (lit.)
• density: 1.373 g/mL at 25 °C (lit.)
• SMILES string: OCC(F)(F)F
• InChI: 1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
• InChI key: RHQDFWAXVIIEBN-UHFFFAOYSA-N

Description

General description

2,2,2-Trifluoroethanol (TFE) is an organic compound with the chemical formula CF₃CH₂OH. TFE is a commonly used solvent in organic synthesis. It can also be used as a cosolvent in the experimental study of proteins and peptides.

Application

2,2,2-Trifluoroethanol can be used as a solvent:

• In the synthesis of 2-amino-3-cyano-4H-chromene and tetrahydrobenzo[b]pyran derivatives by catalyst free one-pot condensation of aldehydes, malononitrile and resorcinol or dimedone.
• In the N-formylation of amines with formic acid in the presence of heterogeneous ZIF-8 (zeolitic imidazolate framework) catalyst.
• In the preparation of 2-substituted-2,3-dihydro-4(1H)-quinazolinone derivatives by condensation of anthranilamide with alkyl, aryl, or heteroaryl ketones or aldehydes.
• In the mild and selective oxidation of sulfur compounds using H₂O₂(hydrogen peroxide).

Features and Benefits

2,2,2-Trifluoroethanol is more acidic than ethanol due to the presence of electronegative trifluoromethyl group.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Pictograms: GHS02,GHS06,GHS08,GHS05
• Signal Word: Danger
• Hazard Statements: H226,H301 + H331,H318,H360F,H373
• Precautionary Statements: P202 - P210 - P280 - P301 + P310 - P304 + P340 + P311 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Dam. 1 - Flam. Liq. 3 - Repr. 1B - STOT RE 2 Inhalation
• Target Organs: Blood
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 86.0 °F - closed cup
• Flash Point(C): 30 °C - closed cup