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Merck
CN

374059

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24863276
EC Number:
207-071-9
Beilstein/REAXYS Number:
1703387
MDL number:
MFCD00039237

Key Documents

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Product Name

3-Bromo-1,1,1-trifluoroacetone, 98%

InChI key

ONZQYZKCUHFORE-UHFFFAOYSA-N

InChI

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

SMILES string

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

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.)

functional group

bromo
fluoro
ketone

Quality Level

100

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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

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.

pictograms

FlameCorrosion
GHS02,GHS05

signalword

Danger

hcodes

H225,H314

Hazard Classifications

Flam. Liq. 2 - Skin Corr. 1B

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

41.0 °F - closed cup

flash_point_c

5 °C - closed cup

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCX9244
MKCS8838
MKCR7356
MKCR7792
MKCL0246

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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
Reaction of ethyl 4, 4, 4-trifluoroacetoacetate enolate with 3-bromo-1, 1, 1-trifluoroacetone: synthesis of 2, 4-bis (trifluoromethyl) furan.
Smith JO, et al.
Journal of Fluorine Chemistry, 81(2), 123-128 (1997)
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.
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
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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