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538795

Sigma-Aldrich

2-Trifluoromethyl-2-propanol

96%

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About This Item

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

Quality Level

100

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

Related Categories

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.

pictograms

Flame
GHS02

signalword

Danger

hcodes

H225

pcodes

P210

Hazard Classifications

Flam. Liq. 2

wgk_germany

WGK 3

flash_point_f

59.0 °F

flash_point_c

15 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Nonacidic nitration of secondary amines
Bottaro JC, et al.
The Journal of Organic Chemistry, 52.11, 2292-2294 (1987)
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)
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)
The Preparation and Some Reactions of Trifluorovinyllithium1
Tarrant P, et al.
The Journal of Organic Chemistry, 28.3, 839-843 (1963)

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