538795
2-Trifluoromethyl-2-propanol
96%
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About This Item
Linear Formula:
CF3C(CH3)2OH
CAS Number:
Molecular Weight:
128.09
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
208-075-3
MDL number:
Product Name
2-Trifluoromethyl-2-propanol, 96%
InChI key
OCGWWLDZAFOHGD-UHFFFAOYSA-N
InChI
1S/C4H7F3O/c1-3(2,8)4(5,6)7/h8H,1-2H3
SMILES string
CC(C)(O)C(F)(F)F
assay
96%
refractive index
n20/D 1.3335 (lit.)
bp
83 °C (lit.)
density
1.17 g/mL at 25 °C (lit.)
functional group
fluoro
hydroxyl
Quality Level
Related Categories
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.
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.
signalword
Danger
hcodes
pcodes
Hazard Classifications
Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
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
Regulatory Information
危险化学品
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Comparison of synthesis yields of 3'-deoxy-3'-[18F] fluorothymidine by nucleophilic fluorination in various alcohol solvents
Lee SJ, et al.
Journal of Labelled Compounds & Radiopharmaceuticals, 51.1, 80-82 (2008)
Nonacidic nitration of secondary amines
Bottaro JC, et al.
The Journal of Organic Chemistry, 52.11 , 2292-2294 (1987)
The Preparation and Some Reactions of Trifluorovinyllithium1
Tarrant P, et al.
The Journal of Organic Chemistry, 28.3, 839-843 (1963)
Mechanistic studies on gas-phase negative ion unimolecular decompositions. Alkoxide anions
Tumas W, et al.
Journal of the American Chemical Society, 110.9 , 2714-2722 (1988)
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