538795

2-Trifluoromethyl-2-propanol

96%

• Linear Formula: CF₃C(CH₃)₂OH
• CAS Number: 507-52-8
• Molecular Weight: 128.09
• EC Number: 208-075-3
• MDL number: MFCD00014391
• UNSPSC Code: 12352100
• PubChem Substance ID: 24878360
• NACRES: NA.22

Properties

• assay: 96%
• refractive index: n20/D 1.3335 (lit.)
• bp: 83 °C (lit.)
• density: 1.17 g/mL at 25 °C (lit.)
• SMILES string: CC(C)(O)C(F)(F)F
• InChI: 1S/C4H7F3O/c1-3(2,8)4(5,6)7/h8H,1-2H3
• InChI key: OCGWWLDZAFOHGD-UHFFFAOYSA-N

Description

General description

2-Trifluoromethyl-2-propanol is a fluorinated aliphatic alcohol. It can be prepared by reacting methyllithium, trifluoroacetone and trifluorovinyl bromide in ether. This can also be synthesized from the reaction between methylmagnesium bromide and 1,1,1-trifluoroacetone in ether.

Application

2-Trifluoromethyl-2-propanol may be employed as a solvent for the preparation of [¹⁸F]fluorothymidine. It may also be used in the synthesis of [2-(trifluoromethyl)-2-propyl nitrate] through nitration in nitric acid/trifluoroacetic anhydride.

Safety Information

• pictograms: GHS02
• signalword: Danger
• hcodes: H225
• pcodes: P210
• Hazard Classifications: Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 59.0 °F - closed cup
• flash_point_c: 15 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter