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Key Documents

542628

Sigma-Aldrich

1,1,1-Trifluoro-2-butanone

95%

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About This Item

Linear Formula:
CF3COC2H5
CAS Number:
Molecular Weight:
126.08
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

95%

refractive index

n20/D 1.322 (lit.)

bp

50-51 °C (lit.)

density

0.929 g/mL at 25 °C (lit.)

functional group

fluoro
ketone

SMILES string

CCC(=O)C(F)(F)F

InChI

1S/C4H5F3O/c1-2-3(8)4(5,6)7/h2H2,1H3

InChI key

QBVHMPFSDVNFAY-UHFFFAOYSA-N

Application

1,1,1-Trifluoro-2-butanone may be used in the synthesis of 5α,6β-dibromo-25-hydroxycholestan-3β-yl acetate. It may also be used for the in situ generation of ethyl(trifluoromethyl)dioxirane (ETDO).

Pictograms

Flame

Signal Word

Danger

Hazard Statements

Precautionary Statements

Hazard Classifications

Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

-0.0 °F - closed cup

Flash Point(C)

-17.8 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Shoujiro Ogawa et al.
Steroids, 74(1), 81-87 (2008-11-11)
Experiments were performed to compare the regioselective hydroxylation of the isopropyl C-H bond at C-25 in 5alpha-cholestan-3beta-yl acetate by in situ generated dimethyldioxirane, methyl(trifluoromethyl)dioxirane, hexafluoro(dimethyl)dioxirane or ethyl(trifluoromethyl)dioxirane (ETDO). The dioxiranes were generated from the corresponding ketones and potassium peroxymonosulfate in

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