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87285

Sigma-Aldrich

2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide

purum, ≥97.0% (GC)

Synonym(s):

1-(Bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene, 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide

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About This Item

Linear Formula:
CF3C6F4CH2Br
CAS Number:
76437-40-6
Molecular Weight:
310.99
Beilstein:
8423469
MDL number:
MFCD00191855
UNSPSC Code:
12352100

vapor pressure

0.38 psi ( 20 °C)

grade

purum

Assay

≥97.0% (GC)

refractive index

n20/D 1.447
n20/D 1.448 (lit.)

density

1.864 g/mL at 25 °C (lit.)

SMILES string

Fc1c(F)c(c(F)c(F)c1CBr)C(F)(F)F

InChI

1S/C8H2BrF7/c9-1-2-4(10)6(12)3(8(14,15)16)7(13)5(2)11/h1H2

InChI key

WKPYRDRWTNJBQI-UHFFFAOYSA-N

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Other Notes

Derivatizing agent for use in conjunction with gas chromatography-electron-capture negative ion mass spectrometry, GC-ECNI-MS

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Certificates of Analysis (COA)

Lot/Batch Number
395026/1
368169/1
336337/1

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M Saha et al.
Journal of chromatography, 641(2), 400-404 (1993-07-09)
4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide (TTBB) was synthesized in a single step from alpha,alpha,alpha,2,3,5,6-heptafluoro-p-xylene. The purpose of TTBB is to function as an analogue of pentafluorobenzyl bromide (PFBB) in electrophoric derivatization reactions prior to detection by gas chromatography-electron-capture negative ion mass spectrometry (GC-ECNI-MS).

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