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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:
431-35-6
Molecular Weight:
190.95
Beilstein:
1703387
EC Number:
207-071-9
MDL number:
MFCD00039237
UNSPSC Code:
12352100
PubChem Substance ID:
24863276
NACRES:
NA.22

Quality Level

100

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

accessory

Product No.
Description
Pricing

Pictograms

FlameCorrosion
GHS02,GHS05

Signal Word

Danger

Hazard Statements

H225,H314

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCS8838
MKCR7792
MKCR7356
MKCL0246
MKCK6496

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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
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
Binoy Jose et al.
Bioorganic & medicinal chemistry letters, 14(21), 5343-5346 (2004-09-30)
Cyclic tetrapeptides containing trifluoromethyl and pentafluoroethyl ketone as zinc binding functional group were synthesized as potent HDAC inhibitors. Evaluation by human HDAC inhibition assay and p21 promoter assay showed that these inhibitors are promising anticancer agents.
Jan H Overbeck et al.
Journal of biomolecular NMR, 74(12), 753-766 (2020-10-01)
Proteins and nucleic acids are highly dynamic bio-molecules that can populate a variety of conformational states. NMR relaxation dispersion (RD) methods are uniquely suited to quantify the associated kinetic and thermodynamic parameters. Here, we present a consistent suite of 19F-based
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