Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

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

Sign Into View Organizational & Contract Pricing
All Photos(1)

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.)

functional group

bromo
fluoro
ketone

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

Looking for similar products? Visit Product Comparison Guide

Related Categories

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCS8838
MKCR7356
MKCR7792
MKCL0246
MKCK6496

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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)
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
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
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
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service