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374059

Sigma-Aldrich

3-Bromo-1,1,1-trifluoroacetone

98%

Synonym(s):

1,1,1-Trifluoro-3-bromo-2-propanone, 1,1,1-Trifluoro-3-bromoacetone, 1,1,1-Trifluoro-3-bromopropanone, 1-Bromo-3,3,3-trifluoroacetone, 3-Bromo-1,1,1-trifluoro-2-propanone, Bromomethyl trifluoromethyl ketone, Bromotrifluoro-2-propanone

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About This Item

Linear Formula:
CF3COCH2Br
CAS Number:
Molecular Weight:
190.95
Beilstein:
1703387
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

98%

form

liquid

refractive index

n20/D 1.376 (lit.)

bp

87 °C/743 mmHg (lit.)

density

1.839 g/mL at 25 °C (lit.)

SMILES string

FC(F)(F)C(=O)CBr

InChI

1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2

InChI key

ONZQYZKCUHFORE-UHFFFAOYSA-N

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General description

3-Bromo-1,1,1-trifluoroacetone reacts with potassium enolate of ethyl 4,4,4-trifluoroacetoacetate to yield ethyl 2,4-bis(trifluoromethyl)-4-hydroxydihydro-3-furoate.

Application

3-Bromo-1,1,1-trifluoroacetone may be used in the synthesis of:
  • 3-nonylthio-1,1,1-trifluoropropan-2-one
  • cyclic tetrapeptides containing trifluoromethyl and pentafluoroethyl ketone as zinc binding functional group
  • perfluoroalkylated trans-allylic alcohols

Pictograms

FlameCorrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Flam. Liq. 2 - Skin Corr. 1B

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

41.0 °F - closed cup

Flash Point(C)

5 °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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Yi Peng et al.
Structure (London, England : 1993), 27(2), 229-240 (2018-12-26)
The N-terminal transactivation domain (NTD) of estrogen receptor alpha, a well-known member of the family of intrinsically disordered proteins, mediates the receptor's transactivation function. However, an accurate molecular dissection of NTD's structure-function relationships remains elusive. Here, we show that the
Novel reductive olefination mediated by Ti (Oi-Pr) 4 and Ph3P. One-pot synthesis of trifluoromethylated trans-allylic alcohols.
Shen Y, et al.
Chemical Communications (Cambridge, England), 20, 2195-2196 (1998)
M Bouchard et al.
Biochemistry, 37(9), 3149-3155 (1998-04-16)
We have investigated in the present study the interaction between G-actin and various types of liposomes, zwitterionic, positively charged, and negatively charged. To investigate at the molecular level the conformation of actin in the presence of lipids, we have selectively
M Brauer et al.
Biochemistry, 25(8), 2187-2191 (1986-04-22)
G-Actin is a globular protein (Mr 42 300) known to have three cysteine residues that are at least partially exposed and chemically reactive (Cys-10, -284, and -374). When G-actin was reacted with 3-bromo-1,1,1-trifluoropropanone, three resolvable 19F resonances were observed in
W A McGee et al.
Analytical biochemistry, 189(2), 267-273 (1990-09-01)
A combined NMR and absorbance stopped-flow has been developed for monitoring the kinetics of biochemical reactions. We demonstrate its usefulness in following the alkaline denaturation of human hemoglobin. No glassblowing is required in the fabrication of the apparatus. Commercially available

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