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T62804

Sigma-Aldrich

1,1,1-Trifluoroacetone

97%

Synonym(s):

α,α,α-Trifluoroacetone, 1,1,1-Trifluoro-2-propanone, 3,3,3-Trifluoroacetone, Methyl trifluoromethyl ketone, Trifluoromethyl methyl ketone

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About This Item

Linear Formula:
CH3COCF3
CAS Number:
421-50-1
Molecular Weight:
112.05
Beilstein:
1748614
EC Number:
207-005-9
MDL number:
MFCD00000423
UNSPSC Code:
12352100
PubChem Substance ID:
24900365
NACRES:
NA.22

vapor pressure

13.62 psi ( 20 °C)

Assay

97%

refractive index

n20/D 1.3 (lit.)

bp

22 °C (lit.)

density

1.252 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CC(=O)C(F)(F)F

InChI

1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3

InChI key

FHUDAMLDXFJHJE-UHFFFAOYSA-N

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Application

Used in a synthesis of 2-trifluoromethyl-7-azaindoles starting with 2,6-dihalopyridines. The derived chiral imine was used to prepare enantiopure α-trifluoromethyl alanines and diamines via a Strecker reaction followed by either nitrile hydrolysis or reduction.

Signal Word

Danger

Hazard Statements

H224,H314,H411

Hazard Classifications

Aquatic Chronic 2 - Eye Irrit. 2 - Flam. Liq. 1 - Skin Corr. 1B

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

-22.0 °F - closed cup

Flash Point(C)

-30 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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Synthesis, 251-251 (2007)
Florent Huguenot et al.
The Journal of organic chemistry, 71(18), 7075-7078 (2006-08-26)
Diastereomerically pure alpha-trifluoromethyl alpha-amino nitriles obtained by Strecker-type reactions from chiral CF3 imines and iminium proved to be very attractive versatile intermediates for the synthesis of various alpha-trifluoromethyl amino compounds. From these synthons, both enantiomers of alpha-trifluoromethyl alanine, trifluoromethyl 1,2-diamines
Jobst Liebau et al.
The Journal of biological chemistry, 295(29), 9868-9878 (2020-05-22)
Fold-switch pathways remodel the secondary structure topology of proteins in response to the cellular environment. It is a major challenge to understand the dynamics of these folding processes. Here, we conducted an in-depth analysis of the α-helix-to-β-strand and β-strand-to-α-helix transitions
Emre Kinaci et al.
Polymers, 12(9) (2020-09-20)
In this investigation, the terminal double bonds of the side chain epoxidized cardanol glycidyl ether (SCECGE) molecule were further epoxidized in the presence of Oxone® (potassium peroxomonosulfate) and fluorinated acetone. Regular methods for the double bond epoxidation are not effective
Sheida Esmaielzadeh et al.
Acta chimica Slovenica, 63(2), 351-362 (2016-06-23)
Some cobalt(III) complexes with a potentially tetradentate unsymmetrical NNOS Schiff base ligand have been synthesized and characterized using IR, 1HNMR, UV-Vis spectroscopy and elemental analysis. The equilibrium constants were measured spectrophotometrically for 1:1 adduct formation of the cobalt(III) complexes with
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