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290564

Sigma-Aldrich

4-(Trifluoromethyl)benzyl bromide

98%

Synonym(s):

α′-Bromo-α,α,α-trifluoro-p-xylene, 4-(Bromomethyl)benzotrifluoride

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About This Item

Linear Formula:
CF3C6H4CH2Br
CAS Number:
402-49-3
Molecular Weight:
239.03
Beilstein/REAXYS Number:
638980
EC Number:
206-947-8
MDL number:
MFCD00000403
UNSPSC Code:
12352100
PubChem Substance ID:
24857474
NACRES:
NA.22

Quality Level

100

assay

98%

form

solid

refractive index

n20/D 1.484 (lit.)

bp

65-69 °C/5 mmHg (lit.)

mp

29-33 °C (lit.)

density

1.546 g/mL at 25 °C (lit.)

functional group

bromo
fluoro

SMILES string

FC(F)(F)c1ccc(CBr)cc1

InChI

1S/C8H6BrF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2

InChI key

IKSNDOVDVVPSMA-UHFFFAOYSA-N

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General description

Vibrational characteristics of 4-(trifluoromethyl)benzylbromide have been investigated.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 3

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
STBK6783
STBJ6621
STBJ5319
STBJ2143
STBH9015

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Daniel K Weber et al.
eLife, 10 (2021-05-13)
Phospholamban (PLN) is a mini-membrane protein that directly controls the cardiac Ca2+-transport response to β-adrenergic stimulation, thus modulating cardiac output during the fight-or-flight response. In the sarcoplasmic reticulum membrane, PLN binds to the sarco(endo)plasmic reticulum Ca2+-ATPase (SERCA), keeping this enzyme's
M Karnan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 116, 84-95 (2013-08-06)
In this work, the vibrational characteristics of 4-(trifluoromethyl) benzylbromide (TFMBB) have been investigated and both the experimental and theoretical vibrational data indicate the presence of functional groups in the title molecule. The density functional theoretical (DFT) computations were performed at
Kelvine Chignen Possi et al.
Journal of medicinal chemistry, 60(22), 9263-9274 (2017-10-14)
Azapeptide analogues of growth hormone releasing peptide-6 (GHRP-6) exhibit promising affinity, selectivity, and modulator activity on the cluster of differentiation 36 receptor (CD36). For example, [A

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