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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
Assay:
98%
Form:
liquid

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
MKDB1532
MKCX9244
MKCS8838
MKCR7356
MKCR7792

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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
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The ability to monitor the behavior of individual proteins in complex mixtures has many potential uses, ranging from analysis of protein interactions in highly concentrated solutions, modeling biological fluids or the intracellular environment, to optimizing biopharmaceutical co-formulations. Differential labeling NMR
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)
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